3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide

C13H17BrN2O — CID 66030877

IUPAC3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrN2O/c14-11-4-1-9(2-5-11)8-16-13(17)10-3-6-12(15)7-10/h1-2,4-5,10,12H,3,6-8,15H2,(H,16,17)
InChIKeyFATRQZSNHBWDLA-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.19
Rot. Bonds3

About 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 66030877) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID66030877
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrN2O/c14-11-4-1-9(2-5-11)8-16-13(17)10-3-6-12(15)7-10/h1-2,4-5,10,12H,3,6-8,15H2,(H,16,17)
InChIKeyFATRQZSNHBWDLA-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide 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-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119767075
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119773406

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide (CID 66030877) is 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is FATRQZSNHBWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-4-1-9(2-5-11)8-16-13(17)10-3-6-12(15)7-10/h1-2,4-5,10,12H,3,6-8,15H2,(H,16,17).
What are the key properties of 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66030877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).