3-(cyclohexylamino)-4-nitrobenzamide

C13H17N3O3 — CID 82994813

IUPAC3-(cyclohexylamino)-4-nitrobenzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])c(NC2CCCCC2)c1
InChIInChI=1S/C13H17N3O3/c14-13(17)9-6-7-12(16(18)19)11(8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H2,14,17)
InChIKeyNCVQVGWVAJMNCT-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.44
Rot. Bonds4

About 3-(cyclohexylamino)-4-nitrobenzamide

3-(cyclohexylamino)-4-nitrobenzamide (PubChem CID 82994813) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(cyclohexylamino)-4-nitrobenzamide.

Molecular Properties

Compound Name3-(cyclohexylamino)-4-nitrobenzamide
PubChem CID82994813
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-(cyclohexylamino)-4-nitrobenzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])c(NC2CCCCC2)c1
InChIInChI=1S/C13H17N3O3/c14-13(17)9-6-7-12(16(18)19)11(8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H2,14,17)
InChIKeyNCVQVGWVAJMNCT-UHFFFAOYSA-N
XLogP2.44
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.44
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'}

Analyze 3-(cyclohexylamino)-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-cyclopentylethylamino)-4-nitrobenzamide
CID 82995881
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
3-nitro-4-(oxan-3-ylamino)benzamide
CID 55189150
3-[(4-methylcyclohexyl)amino]-4-nitrobenzoic acid
CID 82783813
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
3-[(1-methylpiperidin-4-yl)amino]-4-nitrobenzoic acid
CID 82784640
4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide
CID 43599311
tert-butyl carbamate;N-cyclohexyl-5-ethyl-2-nitroaniline
CID 155719614
3-[(4-ethylcyclohexyl)amino]-4-nitrobenzoic acid
CID 82768997
3-[(1-methylpiperidin-2-yl)methylamino]-4-nitrobenzamide
CID 82991901

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-4-nitrobenzamide?
The IUPAC name of 3-(cyclohexylamino)-4-nitrobenzamide (CID 82994813) is 3-(cyclohexylamino)-4-nitrobenzamide.
What is the SMILES notation for 3-(cyclohexylamino)-4-nitrobenzamide?
The canonical SMILES for 3-(cyclohexylamino)-4-nitrobenzamide is NC(=O)c1ccc([N+](=O)[O-])c(NC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylamino)-4-nitrobenzamide?
The InChIKey is NCVQVGWVAJMNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(17)9-6-7-12(16(18)19)11(8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H2,14,17).
What are the key properties of 3-(cyclohexylamino)-4-nitrobenzamide?
3-(cyclohexylamino)-4-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-4-nitrobenzamide is sourced from PubChem (CID 82994813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).