3-[(2-Chloroacetyl)amino]-5-(4-fluorophenyl)thiophene-2-carboxamide

• Catalog: OFC648410199
• CAS: 648410-19-9
• Category: Fluorinated Thiophenes
• Synonyms: Thiophene-2-carboxamide, 3-chloroacetylamino-5-(4-fluorophenyl)-
• MDL Number: MFCD00106573

• IUPAC Name: 3-[(2-chloroacetyl)amino]-5-(4-fluorophenyl)thiophene-2-carboxamide
• InChI: InChI=1S/C13H10ClFN2O2S/c14-6-11(18)17-9-5-10(20-12(9)13(16)19)7-1-3-8(15)4-2-7/h1-5H,6H2,(H2,16,19)(H,17,18)
• InChI Key: WWKVAQYESJREQU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C2=CC(=C(S2)C(=O)N)NC(=O)CCl)F

• Molecular Formula: C13H10ClFN2O2S
• Molecular Weight: 312.75

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 312.0135546 g/mol
• Monoisotopic Mass: 312.0135546 g/mol
• Topological Polar Surface Area: 100Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 377