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

C12H12ClN3O4 — CID 79832497

IUPAC3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CN1
InChIInChI=1S/C12H12ClN3O4/c13-9-3-1-2-8(11(9)16(19)20)12(18)15-7-4-5-10(17)14-6-7/h1-3,7H,4-6H2,(H,14,17)(H,15,18)
InChIKeyAUEXPLWCIJJKKH-UHFFFAOYSA-N
MW297.70 g/mol
LogP1.26
Rot. Bonds3

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

3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide (PubChem CID 79832497) has the molecular formula C12H12ClN3O4 and a molecular weight of 297.70 g/mol. Its IUPAC name is 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
PubChem CID79832497
Molecular FormulaC12H12ClN3O4
Molecular Weight297.70 g/mol
Exact Mass297.05
IUPAC Name3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
SMILESO=C1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CN1
InChIInChI=1S/C12H12ClN3O4/c13-9-3-1-2-8(11(9)16(19)20)12(18)15-7-4-5-10(17)14-6-7/h1-3,7H,4-6H2,(H,14,17)(H,15,18)
InChIKeyAUEXPLWCIJJKKH-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

2-chloro-4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616971
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
5-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 62896045
3-chloro-2-nitro-N-(oxan-3-yl)benzamide
CID 79831055
N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603
4-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60617057
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
2-fluoro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 80712340
2-hydroxy-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63373409
2-oxo-N-(6-oxopiperidin-3-yl)-1H-pyridine-3-carboxamide
CID 60616083
4-amino-2-chloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55245874
1-(2-chloro-4-nitrophenyl)-3-[(3R)-6-oxopiperidin-3-yl]urea
CID 95733889

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide (CID 79832497) is 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide is O=C1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CN1.
What is the InChIKey of 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide?
The InChIKey is AUEXPLWCIJJKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4/c13-9-3-1-2-8(11(9)16(19)20)12(18)15-7-4-5-10(17)14-6-7/h1-3,7H,4-6H2,(H,14,17)(H,15,18).
What are the key properties of 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide?
3-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 3-chloro-2-nitro-N-(6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 79832497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).