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

C13H18BrClN2O — CID 119702505

IUPAC3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrN2O.ClH/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);1H
InChIKeyMBVNNUGRNTUDQI-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.61
Rot. Bonds3

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

3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119702505) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119702505
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H17BrN2O.ClH/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);1H
InChIKeyMBVNNUGRNTUDQI-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
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-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119702505) is 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is MBVNNUGRNTUDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/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);1H.
What are the key properties of 3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 2.61, 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;hydrochloride is sourced from PubChem (CID 119702505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).