Benzamide,N-[[[4-[[[(E)-[(4-chlorophenyl)cyclopropylmethylene]amino]oxy]methyl]phenyl]amino]carbonyl]-2,6-difluoro-

CAS

94050-52-9

Catalog Number

ACM94050529

Category

Other Products

Molecular Weight

483.89

Molecular Formula

C₂₅H₂₀ClF₂N₃O₃

MSDS COA Spec Sheet

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Specification

Synonyms

ANDALIN;1-(α-(4-chloro-α-cyclopropylbenzylideneaminooxy)-p-tolyl)-3-(2,6-difluorobenzoyl)urea(ratio 50 to 80% (E) and 50 to 20% (Z)isomers);N-(((4-chlorophenyl) cyclopropylmethylene amino) oxy) methyl phenyl amino carbonyl-2,6-difluorobenzamide;flucyclox

IUPAC Name

N-[[4-[[(E)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide

Canonical SMILES

CC1=CC(=C(C(=C1C2=CC=CC=C2)F)C(=O)N(C(=O)N)ON=C(C3CC3)C4=CC=C(C=C4)Cl)F

InChI Key

PCKNFPQPGUWFHO-UQRQXUALSA-N

Density

1.37g/cm³

Exact Mass

483.11600

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Benzamide N-[[[4-[[[(E)-[(4-chlorophenyl)cyclopropylmethylene]amino]oxy]methyl]phenyl]amino]carbonyl]-2,6-difluoro?

The molecular formula is C25H20ClF2N3O3.

What is the molecular weight of Benzamide N-[[[4-[[[(E)-[(4-chlorophenyl)cyclopropylmethylene]amino]oxy]methyl]phenyl]amino]carbonyl]-2,6-difluoro?

The molecular weight is 483.9 g/mol.

When was the compound created?

The compound was created on February 16, 2015.

When was the compound last modified?

The compound was last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name is N-carbamoyl-N-[(Z)-[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxy-2,6-difluoro-4-methyl-3-phenylbenzamide.

What is the InChI of the compound?

The InChI is InChI=1S/C25H20ClF2N3O3/c1-14-13-19(27)21(22(28)20(14)15-5-3-2-4-6-15)24(32)31(25(29)33)34-30-23(16-7-8-16)17-9-11-18(26)12-10-17/h2-6,9-13,16H,7-8H2,1H3,(H2,29,33)/b30-23-.

What is the InChIKey of the compound?

The InChIKey is LZFGOFQTYWFVDC-WMMMYUQOSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC1=CC(=C(C(=C1C2=CC=CC=C2)F)C(=O)N(C(=O)N)ON=C(C3CC3)C4=CC=C(C=C4)Cl)F.

What is the molecular weight of the compound?

The molecular weight is 483.9 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.