N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide

C17H12ClFN2O — CID 71822257

IUPACN-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12ClFN2O/c18-13-9-11(5-7-14(13)19)10-20-17(22)16-8-6-12-3-1-2-4-15(12)21-16/h1-9H,10H2,(H,20,22)
InChIKeyHJJDEUPJPMLYRX-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.96
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide (PubChem CID 71822257) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
PubChem CID71822257
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12ClFN2O/c18-13-9-11(5-7-14(13)19)10-20-17(22)16-8-6-12-3-1-2-4-15(12)21-16/h1-9H,10H2,(H,20,22)
InChIKeyHJJDEUPJPMLYRX-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62533307
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53167047
N-[(4-sulfamoylphenyl)methyl]quinoline-2-carboxamide
CID 4785409
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369569
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824245
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide (CID 71822257) is N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide?
The InChIKey is HJJDEUPJPMLYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-13-9-11(5-7-14(13)19)10-20-17(22)16-8-6-12-3-1-2-4-15(12)21-16/h1-9H,10H2,(H,20,22).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide has a molecular weight of 314.75 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 71822257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).