5-Chloro-N-(1-([6-(trifluoromethyl)pyridin-3-yl]methyl)piperidin-4-yl)indoline-1-carboxamide

CAS

909668-93-5

Catalog Number

ACM909668935

Category

Other Products

Molecular Weight

438.8737896

Molecular Formula

C₂₁H₂₂ClF₃N₄O

MSDS COA Spec Sheet

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Specification

Synonyms

5-CHLORO-N-(1-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)PIPERIDIN-4-YL)INDOLINE-1-CARBOXAMIDE;1H-INDOLE-1-CARBOXAMIDE, 5-CHLORO-2,3-DIHYDRO-N-[1-[[6-(TRIFLUOROMETHYL)-3-PYRIDINYL]METHYL]-4-PIPERIDINYL]-

What is the molecular formula of the compound with PubChem CID 24736814?

The molecular formula is C21H22ClF3N4O.

What is the molecular weight of the compound?

The molecular weight is 438.9 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-chloro-N-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide.

What is the InChI of the compound?

The InChI is InChI=1S/C21H22ClF3N4O/c22-16-2-3-18-15(11-16)5-10-29(18)20(30)27-17-6-8-28(9-7-17)13-14-1-4-19(26-12-14)21(23,24)25/h1-4,11-12,17H,5-10,13H2,(H,27,30).

What is the InChIKey of the compound?

The InChIKey is IILHFVJZYLBIIF-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1CN(CCC1NC(=O)N2CCC3=C2C=CC(=C3)Cl)CC4=CN=C(C=C4)C(F)(F)F.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 3.7.

Is the compound canonicalized?

Yes, the compound is canonicalized.