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

C12H12ClN3O4 — CID 60616971

IUPAC2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CN1
InChIInChI=1S/C12H12ClN3O4/c13-10-5-8(16(19)20)2-3-9(10)12(18)15-7-1-4-11(17)14-6-7/h2-3,5,7H,1,4,6H2,(H,14,17)(H,15,18)
InChIKeyHKGFGWAFFZTKCL-UHFFFAOYSA-N
MW297.70 g/mol
LogP1.26
Rot. Bonds3

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

2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 60616971) has the molecular formula C12H12ClN3O4 and a molecular weight of 297.70 g/mol. Its IUPAC name is 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID60616971
Molecular FormulaC12H12ClN3O4
Molecular Weight297.70 g/mol
Exact Mass297.05
IUPAC Name2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CN1
InChIInChI=1S/C12H12ClN3O4/c13-10-5-8(16(19)20)2-3-9(10)12(18)15-7-1-4-11(17)14-6-7/h2-3,5,7H,1,4,6H2,(H,14,17)(H,15,18)
InChIKeyHKGFGWAFFZTKCL-UHFFFAOYSA-N
XLogP1.26
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
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-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
2-chloro-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 4611426
5-(2,6-dichloro-4-nitroanilino)piperidin-2-one
CID 104917416
2-chloro-N-(3,5-dimethylcyclohexyl)-4-nitrobenzamide
CID 64723347
5-nitro-2-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661956
2-chloro-4-nitro-N-(2-oxothiolan-3-yl)benzamide
CID 3113374

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide (CID 60616971) is 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide is O=C1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CN1.
What is the InChIKey of 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is HKGFGWAFFZTKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4/c13-10-5-8(16(19)20)2-3-9(10)12(18)15-7-1-4-11(17)14-6-7/h2-3,5,7H,1,4,6H2,(H,14,17)(H,15,18).
What are the key properties of 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide?
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide has a molecular weight of 297.70 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 60616971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).