3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride

C13H18BrClN2O2 — CID 119752414

IUPAC3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(Br)c(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-18-10-4-5-11(14)12(7-10)16-13(17)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17);1H
InChIKeyXOIHDJBOBFERMB-UHFFFAOYSA-N
MW349.66 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119752414) has the molecular formula C13H18BrClN2O2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119752414
Molecular FormulaC13H18BrClN2O2
Molecular Weight349.66 g/mol
Exact Mass348.02
IUPAC Name3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCOc1ccc(Br)c(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C13H17BrN2O2.ClH/c1-18-10-4-5-11(14)12(7-10)16-13(17)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17);1H
InChIKeyXOIHDJBOBFERMB-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride 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-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550857
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 115411606
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119686949
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119669339
4-amino-N-(2-bromo-5-methoxyphenyl)oxolane-3-carboxamide
CID 66235288
3-amino-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 66009354
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119752414) is 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride is COc1ccc(Br)c(NC(=O)C2CCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XOIHDJBOBFERMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2.ClH/c1-18-10-4-5-11(14)12(7-10)16-13(17)8-2-3-9(15)6-8;/h4-5,7-9H,2-3,6,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 349.66 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119752414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).