4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide

C12H9ClN2O2 — CID 47176378

IUPAC4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide
SMILESO=C(Nc1c[nH]ccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O2/c13-9-3-1-8(2-4-9)12(17)15-10-7-14-6-5-11(10)16/h1-7H,(H,14,16)(H,15,17)
InChIKeyAZHLLHLOIRBDKD-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.28
Rot. Bonds2

About 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide

4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 47176378) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide
PubChem CID47176378
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide
SMILESO=C(Nc1c[nH]ccc1=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O2/c13-9-3-1-8(2-4-9)12(17)15-10-7-14-6-5-11(10)16/h1-7H,(H,14,16)(H,15,17)
InChIKeyAZHLLHLOIRBDKD-UHFFFAOYSA-N
XLogP2.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(4-oxo-1H-pyridin-3-yl)acetamide
CID 46737876
3,4-dichloro-N-[2-oxo-2-[(4-oxo-1H-pyridin-3-yl)amino]ethyl]benzamide
CID 60512470
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
5-cyclopropyl-N-(4-oxo-1H-pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 71937067
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
4-chloro-N-(2,4-dioxo-1H-pyrimidin-6-yl)benzamide
CID 4228393
4-chloro-N-hydroxybenzamide
CID 587178
N-(5-amino-2-fluorophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114038625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide (CID 47176378) is 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide is O=C(Nc1c[nH]ccc1=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is AZHLLHLOIRBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-9-3-1-8(2-4-9)12(17)15-10-7-14-6-5-11(10)16/h1-7H,(H,14,16)(H,15,17).
What are the key properties of 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide?
4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 248.67 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 47176378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).