3-amino-4-[(2-methylcyclopentyl)amino]benzamide

C13H19N3O — CID 63278285

IUPAC3-amino-4-[(2-methylcyclopentyl)amino]benzamide
SMILESCC1CCCC1Nc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O/c1-8-3-2-4-11(8)16-12-6-5-9(13(15)17)7-10(12)14/h5-8,11,16H,2-4,14H2,1H3,(H2,15,17)
InChIKeyBZYDFFULMTWYLW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.97
Rot. Bonds3

About 3-amino-4-[(2-methylcyclopentyl)amino]benzamide

3-amino-4-[(2-methylcyclopentyl)amino]benzamide (PubChem CID 63278285) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-amino-4-[(2-methylcyclopentyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-methylcyclopentyl)amino]benzamide
PubChem CID63278285
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-amino-4-[(2-methylcyclopentyl)amino]benzamide
SMILESCC1CCCC1Nc1ccc(C(N)=O)cc1N
InChIInChI=1S/C13H19N3O/c1-8-3-2-4-11(8)16-12-6-5-9(13(15)17)7-10(12)14/h5-8,11,16H,2-4,14H2,1H3,(H2,15,17)
InChIKeyBZYDFFULMTWYLW-UHFFFAOYSA-N
XLogP1.97
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-[(2-methylcyclopentyl)amino]benzamide 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

methyl 3-amino-4-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 61305643
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
CID 64738505
3-amino-4-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64732070
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
CID 106358993
methyl 4-amino-3-[(2-methylcyclohexyl)amino]benzoate
CID 82784954
4-amino-3-[(2,4-dimethylcyclohexyl)amino]benzamide
CID 63993880
3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 63277953
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
CID 43206245
N,3-dimethyl-4-[(2-methylcyclopentyl)amino]benzamide
CID 65044342
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
CID 63251907

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methylcyclopentyl)amino]benzamide?
The IUPAC name of 3-amino-4-[(2-methylcyclopentyl)amino]benzamide (CID 63278285) is 3-amino-4-[(2-methylcyclopentyl)amino]benzamide.
What is the SMILES notation for 3-amino-4-[(2-methylcyclopentyl)amino]benzamide?
The canonical SMILES for 3-amino-4-[(2-methylcyclopentyl)amino]benzamide is CC1CCCC1Nc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[(2-methylcyclopentyl)amino]benzamide?
The InChIKey is BZYDFFULMTWYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-3-2-4-11(8)16-12-6-5-9(13(15)17)7-10(12)14/h5-8,11,16H,2-4,14H2,1H3,(H2,15,17).
What are the key properties of 3-amino-4-[(2-methylcyclopentyl)amino]benzamide?
3-amino-4-[(2-methylcyclopentyl)amino]benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-methylcyclopentyl)amino]benzamide is sourced from PubChem (CID 63278285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).