N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride

C15H22BrClN2O — CID 119566788

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCc2cccc(Br)c2)CCCC1
InChIInChI=1S/C15H21BrN2O.ClH/c16-13-5-3-4-12(10-13)6-7-14(19)18-15(11-17)8-1-2-9-15;/h3-5,10H,1-2,6-9,11,17H2,(H,18,19);1H
InChIKeyUSWHHAXXWVVTAG-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.19
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride (PubChem CID 119566788) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
PubChem CID119566788
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
SMILESCl.NCC1(NC(=O)CCc2cccc(Br)c2)CCCC1
InChIInChI=1S/C15H21BrN2O.ClH/c16-13-5-3-4-12(10-13)6-7-14(19)18-15(11-17)8-1-2-9-15;/h3-5,10H,1-2,6-9,11,17H2,(H,18,19);1H
InChIKeyUSWHHAXXWVVTAG-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;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-(3-bromophenyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]propanamide
CID 62526163
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382
1-[3-(3-bromophenyl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450964
N-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119565780
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
2-(3-bromophenyl)-N-[1-(chloromethyl)cyclopentyl]acetamide
CID 113272403
1-(aminomethyl)-N-[(3-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705750
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544919
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119565765
N-[1-(aminomethyl)cyclopentyl]-3-(4-ethoxyphenyl)propanamide
CID 119566013

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride (CID 119566788) is N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride is Cl.NCC1(NC(=O)CCc2cccc(Br)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride?
The InChIKey is USWHHAXXWVVTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c16-13-5-3-4-12(10-13)6-7-14(19)18-15(11-17)8-1-2-9-15;/h3-5,10H,1-2,6-9,11,17H2,(H,18,19);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119566788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).