2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide

C18H14Cl2N2O — CID 142648962

IUPAC2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1C=CC=NC1(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O/c19-14-10-8-13(9-11-14)18(20)16(7-4-12-21-18)17(23)22-15-5-2-1-3-6-15/h1-12,16H,(H,22,23)
InChIKeyAKQFIZVCWAQLDD-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide

2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide (PubChem CID 142648962) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide
PubChem CID142648962
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC Name2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1C=CC=NC1(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O/c19-14-10-8-13(9-11-14)18(20)16(7-4-12-21-18)17(23)22-15-5-2-1-3-6-15/h1-12,16H,(H,22,23)
InChIKeyAKQFIZVCWAQLDD-UHFFFAOYSA-N
XLogP4.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide
CID 10455003
3,5,6-trichloro-6-hydroxy-4-nitro-N-phenylcyclohexa-2,4-diene-1-carboxamide
CID 154185441
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide
CID 139509999
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
CID 46217205
(1S,2S,3S,4S)-1,4,5,6,7,7-hexachloro-3-[(4-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98545500
N-(4-chlorophenyl)-1-phenylcyclopent-3-ene-1-carboxamide
CID 155818871
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide?
The IUPAC name of 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide (CID 142648962) is 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide is O=C(Nc1ccccc1)C1C=CC=NC1(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide?
The InChIKey is AKQFIZVCWAQLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c19-14-10-8-13(9-11-14)18(20)16(7-4-12-21-18)17(23)22-15-5-2-1-3-6-15/h1-12,16H,(H,22,23).
What are the key properties of 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide?
2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide has a molecular weight of 345.23 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide is sourced from PubChem (CID 142648962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).