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

C12H12ClN3O4 — CID 62896045

IUPAC5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C12H12ClN3O4/c13-7-1-3-10(16(19)20)9(5-7)12(18)15-8-2-4-11(17)14-6-8/h1,3,5,8H,2,4,6H2,(H,14,17)(H,15,18)
InChIKeyLQUOYKNNJZWLGF-UHFFFAOYSA-N
MW297.70 g/mol
LogP1.26
Rot. Bonds3

About 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide

5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 62896045) has the molecular formula C12H12ClN3O4 and a molecular weight of 297.70 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID62896045
Molecular FormulaC12H12ClN3O4
Molecular Weight297.70 g/mol
Exact Mass297.05
IUPAC Name5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C12H12ClN3O4/c13-7-1-3-10(16(19)20)9(5-7)12(18)15-8-2-4-11(17)14-6-8/h1,3,5,8H,2,4,6H2,(H,14,17)(H,15,18)
InChIKeyLQUOYKNNJZWLGF-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

5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 113358036
2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 79832497
5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide
CID 103082421
2-nitro-5-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661251
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
N-(2-aminocyclopropyl)-5-chloro-2-nitrobenzamide
CID 43593870
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 8590047
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitrobenzamide
CID 8590046
5-chloro-2-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2654690
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide (CID 62896045) is 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide is O=C1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1.
What is the InChIKey of 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is LQUOYKNNJZWLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4/c13-7-1-3-10(16(19)20)9(5-7)12(18)15-8-2-4-11(17)14-6-8/h1,3,5,8H,2,4,6H2,(H,14,17)(H,15,18).
What are the key properties of 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide?
5-chloro-2-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 5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 62896045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).