1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride

C13H18BrClN2O — CID 119670345

IUPAC1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C13H17BrN2O.ClH/c14-10-3-5-11(6-4-10)16-12(17)13(9-15)7-1-2-8-13;/h3-6H,1-2,7-9,15H2,(H,16,17);1H
InChIKeyFQHWLPYNWBEWEZ-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.33
Rot. Bonds3

About 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride

1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119670345) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119670345
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C13H17BrN2O.ClH/c14-10-3-5-11(6-4-10)16-12(17)13(9-15)7-1-2-8-13;/h3-6H,1-2,7-9,15H2,(H,16,17);1H
InChIKeyFQHWLPYNWBEWEZ-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(4-bromophenyl)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

1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 81485494
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride
CID 119740942

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119670345) is 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FQHWLPYNWBEWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/c14-10-3-5-11(6-4-10)16-12(17)13(9-15)7-1-2-8-13;/h3-6H,1-2,7-9,15H2,(H,16,17);1H.
What are the key properties of 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride?
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119670345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).