2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene

C21H17ClN2O2 — CID 23320864

IUPAC2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene
SMILESC=C.O=C(Nc1ccccc1)c1ccnc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13ClN2O2.C2H4/c20-15-8-6-13(7-9-15)18(23)17-12-14(10-11-21-17)19(24)22-16-4-2-1-3-5-16;1-2/h1-12H,(H,22,24);1-2H2
InChIKeyWXJSYPFONFKSQS-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.02
Rot. Bonds4

About 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene

2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene (PubChem CID 23320864) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene
PubChem CID23320864
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene
SMILESC=C.O=C(Nc1ccccc1)c1ccnc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H13ClN2O2.C2H4/c20-15-8-6-13(7-9-15)18(23)17-12-14(10-11-21-17)19(24)22-16-4-2-1-3-5-16;1-2/h1-12H,(H,22,24);1-2H2
InChIKeyWXJSYPFONFKSQS-UHFFFAOYSA-N
XLogP5.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide
CID 66870112
2-N-(2-ethylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090820
2-(4-chlorobenzoyl)pyridine-4-carbothioamide
CID 5372484
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene?
The IUPAC name of 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene (CID 23320864) is 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene?
The canonical SMILES for 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene is C=C.O=C(Nc1ccccc1)c1ccnc(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene?
The InChIKey is WXJSYPFONFKSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2.C2H4/c20-15-8-6-13(7-9-15)18(23)17-12-14(10-11-21-17)19(24)22-16-4-2-1-3-5-16;1-2/h1-12H,(H,22,24);1-2H2.
What are the key properties of 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene?
2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene has a molecular weight of 364.83 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N-phenylpyridine-4-carboxamide;ethene is sourced from PubChem (CID 23320864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).