2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide

C13H17ClN2O — CID 114542613

IUPAC2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C13H17ClN2O/c1-8-5-6-9(7-8)16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,15H2,1H3,(H,16,17)
InChIKeyYTBHMVLFYVHULT-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.84
Rot. Bonds2

About 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide

2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide (PubChem CID 114542613) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
PubChem CID114542613
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
SMILESCC1CCC(NC(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C13H17ClN2O/c1-8-5-6-9(7-8)16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,15H2,1H3,(H,16,17)
InChIKeyYTBHMVLFYVHULT-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-3-chloro-N-(3-methylcyclopentyl)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

3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
2-amino-3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965097
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 114540527
2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 115540774
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide (CID 114542613) is 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide is CC1CCC(NC(=O)c2cccc(Cl)c2N)C1.
What is the InChIKey of 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide?
The InChIKey is YTBHMVLFYVHULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8-5-6-9(7-8)16-13(17)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide?
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide has a molecular weight of 252.74 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide is sourced from PubChem (CID 114542613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).