4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide

C12H14ClN3O2 — CID 55245874

IUPAC4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
SMILESNc1ccc(C(=O)NC2CCC(=O)NC2)c(Cl)c1
InChIInChI=1S/C12H14ClN3O2/c13-10-5-7(14)1-3-9(10)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6,14H2,(H,15,17)(H,16,18)
InChIKeyWROYZYYCNOTHDM-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.93
Rot. Bonds2

About 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide

4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 55245874) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID55245874
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
SMILESNc1ccc(C(=O)NC2CCC(=O)NC2)c(Cl)c1
InChIInChI=1S/C12H14ClN3O2/c13-10-5-7(14)1-3-9(10)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6,14H2,(H,15,17)(H,16,18)
InChIKeyWROYZYYCNOTHDM-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
5-amino-2-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55245873
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
5-bromo-2-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 55210131
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
2-chloro-5-[[(2R)-3-methylbutan-2-yl]amino]-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 96522501
4-amino-2-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 114154678
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 79832497
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide (CID 55245874) is 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide is Nc1ccc(C(=O)NC2CCC(=O)NC2)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is WROYZYYCNOTHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-10-5-7(14)1-3-9(10)12(18)16-8-2-4-11(17)15-6-8/h1,3,5,8H,2,4,6,14H2,(H,15,17)(H,16,18).
What are the key properties of 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide?
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 267.72 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 55245874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).