2-chloro-N-(2-oxopiperidin-3-yl)benzamide

C12H13ClN2O2 — CID 47478270

IUPAC2-chloro-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2/c13-9-5-2-1-4-8(9)11(16)15-10-6-3-7-14-12(10)17/h1-2,4-5,10H,3,6-7H2,(H,14,17)(H,15,16)
InChIKeyQNKJZVALWJMZFE-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.35
Rot. Bonds2

About 2-chloro-N-(2-oxopiperidin-3-yl)benzamide

2-chloro-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 47478270) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloro-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID47478270
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-chloro-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2/c13-9-5-2-1-4-8(9)11(16)15-10-6-3-7-14-12(10)17/h1-2,4-5,10H,3,6-7H2,(H,14,17)(H,15,16)
InChIKeyQNKJZVALWJMZFE-UHFFFAOYSA-N
XLogP1.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
N-(2-oxopiperidin-3-yl)-1H-indole-3-carboxamide
CID 49149499
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
4-bromo-5-[(2-chlorobenzoyl)amino]-1-methyl-N-[(3R)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 58770197
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
CID 113257291
3-amino-2-nitro-N-(2-oxopiperidin-3-yl)benzamide
CID 115548625
4-bromo-5-[(2-chlorobenzoyl)amino]-N-(2-oxoazepan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 11432555
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-oxopiperidin-3-yl)benzamide (CID 47478270) is 2-chloro-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-oxopiperidin-3-yl)benzamide is O=C(NC1CCCNC1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is QNKJZVALWJMZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-9-5-2-1-4-8(9)11(16)15-10-6-3-7-14-12(10)17/h1-2,4-5,10H,3,6-7H2,(H,14,17)(H,15,16).
What are the key properties of 2-chloro-N-(2-oxopiperidin-3-yl)benzamide?
2-chloro-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 252.70 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 47478270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).