3-amino-N-cyclohexyl-2-nitrobenzamide

C13H17N3O3 — CID 115548193

IUPAC3-amino-N-cyclohexyl-2-nitrobenzamide
SMILESNc1cccc(C(=O)NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c14-11-8-4-7-10(12(11)16(18)19)13(17)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,14H2,(H,15,17)
InChIKeyBQUJDODYGGHVFF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-N-cyclohexyl-2-nitrobenzamide

3-amino-N-cyclohexyl-2-nitrobenzamide (PubChem CID 115548193) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-2-nitrobenzamide
PubChem CID115548193
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-amino-N-cyclohexyl-2-nitrobenzamide
SMILESNc1cccc(C(=O)NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c14-11-8-4-7-10(12(11)16(18)19)13(17)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,14H2,(H,15,17)
InChIKeyBQUJDODYGGHVFF-UHFFFAOYSA-N
XLogP2.24
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-cyclohexyl-2-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

N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-nitrobenzamide
CID 115549268
3-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
CID 115549026
3-amino-2-nitro-N-(2-oxopiperidin-3-yl)benzamide
CID 115548625
3-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-nitrobenzamide
CID 115549152
2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-nitrobenzamide
CID 115548331
3-amino-N-(2-ethylcyclopropyl)-2-nitrobenzamide
CID 114109641
N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
CID 62312779
3-amino-N-(2,2-dicyclopropylethyl)-2-nitrobenzamide
CID 115549225
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
3-amino-N-[2-(carbamoylamino)ethyl]-2-nitrobenzamide
CID 83115159

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-2-nitrobenzamide?
The IUPAC name of 3-amino-N-cyclohexyl-2-nitrobenzamide (CID 115548193) is 3-amino-N-cyclohexyl-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-cyclohexyl-2-nitrobenzamide is Nc1cccc(C(=O)NC2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-cyclohexyl-2-nitrobenzamide?
The InChIKey is BQUJDODYGGHVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-11-8-4-7-10(12(11)16(18)19)13(17)15-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6,14H2,(H,15,17).
What are the key properties of 3-amino-N-cyclohexyl-2-nitrobenzamide?
3-amino-N-cyclohexyl-2-nitrobenzamide has a molecular weight of 263.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-2-nitrobenzamide is sourced from PubChem (CID 115548193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).