3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride

C15H22BrClN2O — CID 119734872

IUPAC3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-10(8-11-2-5-13(16)6-3-11)18-15(19)12-4-7-14(17)9-12;/h2-3,5-6,10,12,14H,4,7-9,17H2,1H3,(H,18,19);1H
InChIKeyNWYKQBNRWJELCI-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.05
Rot. Bonds4

About 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119734872) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119734872
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-10(8-11-2-5-13(16)6-3-11)18-15(19)12-4-7-14(17)9-12;/h2-3,5-6,10,12,14H,4,7-9,17H2,1H3,(H,18,19);1H
InChIKeyNWYKQBNRWJELCI-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.05
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
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975257
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
N-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47288217
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867930
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 119726356
N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide
CID 75262929
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119808297
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119734872) is 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride is CC(Cc1ccc(Br)cc1)NC(=O)C1CCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is NWYKQBNRWJELCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-10(8-11-2-5-13(16)6-3-11)18-15(19)12-4-7-14(17)9-12;/h2-3,5-6,10,12,14H,4,7-9,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119734872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).