1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

C13H17BrCl2N2O — CID 119306102

IUPAC1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C13H16BrClN2O.ClH/c14-10-4-3-9(11(15)7-10)8-17-12(18)13(16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H
InChIKeyXSRWWGAANBEVJP-UHFFFAOYSA-N
MW368.10 g/mol
LogP3.41
Rot. Bonds3

About 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119306102) has the molecular formula C13H17BrCl2N2O and a molecular weight of 368.10 g/mol. Its IUPAC name is 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119306102
Molecular FormulaC13H17BrCl2N2O
Molecular Weight368.10 g/mol
Exact Mass365.99
IUPAC Name1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccc(Br)cc2Cl)CCCC1
InChIInChI=1S/C13H16BrClN2O.ClH/c14-10-4-3-9(11(15)7-10)8-17-12(18)13(16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H
InChIKeyXSRWWGAANBEVJP-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.10
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768
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CID 119753686
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110908184
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
CID 60867766
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
N-[(4-bromo-2-chlorophenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119753670
1-[(4-bromo-2-chlorophenyl)methyl]cycloheptan-1-amine
CID 113471164
2-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976837
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119306102) is 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2ccc(Br)cc2Cl)CCCC1.
What is the InChIKey of 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XSRWWGAANBEVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O.ClH/c14-10-4-3-9(11(15)7-10)8-17-12(18)13(16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H.
What are the key properties of 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 368.10 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119306102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).