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

C14H20BrClN2O — CID 119780965

IUPAC3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(Br)ccc1CNC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-9-6-12(15)4-2-11(9)8-17-14(18)10-3-5-13(16)7-10;/h2,4,6,10,13H,3,5,7-8,16H2,1H3,(H,17,18);1H
InChIKeyJVJPJRVBFUQGJL-UHFFFAOYSA-N
MW347.68 g/mol
LogP2.92
Rot. Bonds3

About 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119780965) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119780965
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(Br)ccc1CNC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C14H19BrN2O.ClH/c1-9-6-12(15)4-2-11(9)8-17-14(18)10-3-5-13(16)7-10;/h2,4,6,10,13H,3,5,7-8,16H2,1H3,(H,17,18);1H
InChIKeyJVJPJRVBFUQGJL-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 119685455
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclohexane-1-carboxamide
CID 119753669
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119766513
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 154910286

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119780965) is 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cc1cc(Br)ccc1CNC(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is JVJPJRVBFUQGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O.ClH/c1-9-6-12(15)4-2-11(9)8-17-14(18)10-3-5-13(16)7-10;/h2,4,6,10,13H,3,5,7-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 347.68 g/mol, XLogP of 2.92, 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-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119780965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).