2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide

C16H9Cl2FN2O — CID 55731814

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C16H9Cl2FN2O/c17-12-8-11(3-4-13(12)19)20-16(22)10-1-5-14-9(7-10)2-6-15(18)21-14/h1-8H,(H,20,22)
InChIKeyGUENZZUQBFNYRJ-UHFFFAOYSA-N
MW335.17 g/mol
LogP4.93
Rot. Bonds2

About 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide

2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide (PubChem CID 55731814) has the molecular formula C16H9Cl2FN2O and a molecular weight of 335.17 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide
PubChem CID55731814
Molecular FormulaC16H9Cl2FN2O
Molecular Weight335.17 g/mol
Exact Mass334.01
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C16H9Cl2FN2O/c17-12-8-11(3-4-13(12)19)20-16(22)10-1-5-14-9(7-10)2-6-15(18)21-14/h1-8H,(H,20,22)
InChIKeyGUENZZUQBFNYRJ-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-methylsulfanylphenyl)quinoline-6-carboxamide
CID 55731147
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
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CID 144890602
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
2-chloro-N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62242916
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide (CID 55731814) is 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide?
The InChIKey is GUENZZUQBFNYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O/c17-12-8-11(3-4-13(12)19)20-16(22)10-1-5-14-9(7-10)2-6-15(18)21-14/h1-8H,(H,20,22).
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide?
2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-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-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide is sourced from PubChem (CID 55731814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).