2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide

C16H9Cl2FN2O — CID 110299179

IUPAC2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C16H9Cl2FN2O/c17-12-3-1-2-4-13(12)21-16(22)11-7-9-5-6-10(19)8-14(9)20-15(11)18/h1-8H,(H,21,22)
InChIKeyUYCKPZAVSSMRBY-UHFFFAOYSA-N
MW335.17 g/mol
LogP4.93
Rot. Bonds2

About 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide

2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide (PubChem CID 110299179) has the molecular formula C16H9Cl2FN2O and a molecular weight of 335.17 g/mol. Its IUPAC name is 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
PubChem CID110299179
Molecular FormulaC16H9Cl2FN2O
Molecular Weight335.17 g/mol
Exact Mass334.01
IUPAC Name2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2ccc(F)cc2nc1Cl
InChIInChI=1S/C16H9Cl2FN2O/c17-12-3-1-2-4-13(12)21-16(22)11-7-9-5-6-10(19)8-14(9)20-15(11)18/h1-8H,(H,21,22)
InChIKeyUYCKPZAVSSMRBY-UHFFFAOYSA-N
XLogP4.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3,5-dimethylphenyl)-7-fluoroquinoline-3-carboxamide
CID 110299173
N-(3-acetamidophenyl)-2-chloro-7-fluoroquinoline-3-carboxamide
CID 110299194
2-chloro-7-fluoro-N-(4-pyrrolidin-1-ylphenyl)quinoline-3-carboxamide
CID 110299200
2-chloro-7-fluoro-N-[2-(2-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110299126
2-chloro-7-fluoro-N-(6-methoxy-3-pyridinyl)quinoline-3-carboxamide
CID 110301899
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
2-chloro-7-fluoro-N-[(3-methylphenyl)methyl]quinoline-3-carboxamide
CID 110299110
N-(2-chloro-5-fluorophenyl)-2-hydrazinylbenzamide
CID 107531326
N-(2-chlorophenyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816277
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
2-chloro-7-fluoro-N-(2-methyl-2-pyrrolidin-1-ylpropyl)quinoline-3-carboxamide
CID 110303168
7-fluoro-2-methyl-N-(2-propoxyphenyl)quinoline-3-carboxamide
CID 46808171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide (CID 110299179) is 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide is O=C(Nc1ccccc1Cl)c1cc2ccc(F)cc2nc1Cl.
What is the InChIKey of 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide?
The InChIKey is UYCKPZAVSSMRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O/c17-12-3-1-2-4-13(12)21-16(22)11-7-9-5-6-10(19)8-14(9)20-15(11)18/h1-8H,(H,21,22).
What are the key properties of 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide?
2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide has a molecular weight of 335.17 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chlorophenyl)-7-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 110299179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).