3-[5-(4-chloroanilino)-3-pyridinyl]benzamide

C18H14ClN3O — CID 68952480

IUPAC3-[5-(4-chloroanilino)-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cncc(Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C18H14ClN3O/c19-15-4-6-16(7-5-15)22-17-9-14(10-21-11-17)12-2-1-3-13(8-12)18(20)23/h1-11,22H,(H2,20,23)
InChIKeyLNEVLGYLZMAHPL-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.24
Rot. Bonds4

About 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide

3-[5-(4-chloroanilino)-3-pyridinyl]benzamide (PubChem CID 68952480) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[5-(4-chloroanilino)-3-pyridinyl]benzamide
PubChem CID68952480
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name3-[5-(4-chloroanilino)-3-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cncc(Nc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C18H14ClN3O/c19-15-4-6-16(7-5-15)22-17-9-14(10-21-11-17)12-2-1-3-13(8-12)18(20)23/h1-11,22H,(H2,20,23)
InChIKeyLNEVLGYLZMAHPL-UHFFFAOYSA-N
XLogP4.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-pyridinyl)benzamide
CID 91358917
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
N-[2-(dimethylamino)ethyl]-3-[5-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 68945225
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
6-(3-anilinophenyl)pyridine-3-carboxamide
CID 174715088
5-(3-acetamidoanilino)-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 109244585
5-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 71303489
5-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 71303513
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide (CID 68952480) is 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide is NC(=O)c1cccc(-c2cncc(Nc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide?
The InChIKey is LNEVLGYLZMAHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-15-4-6-16(7-5-15)22-17-9-14(10-21-11-17)12-2-1-3-13(8-12)18(20)23/h1-11,22H,(H2,20,23).
What are the key properties of 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide?
3-[5-(4-chloroanilino)-3-pyridinyl]benzamide has a molecular weight of 323.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chloroanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 68952480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).