1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C15H22BrClN2O — CID 119281754

IUPAC1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C15H21BrN2O.ClH/c16-13-6-4-12(5-7-13)8-11-18-14(19)15(17)9-2-1-3-10-15;/h4-7H,1-3,8-11,17H2,(H,18,19);1H
InChIKeyWMJBDEHSIJWUEY-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.19
Rot. Bonds4

About 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119281754) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119281754
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCCc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C15H21BrN2O.ClH/c16-13-6-4-12(5-7-13)8-11-18-14(19)15(17)9-2-1-3-10-15;/h4-7H,1-3,8-11,17H2,(H,18,19);1H
InChIKeyWMJBDEHSIJWUEY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride 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

1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119310374
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 81172071
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 119307278
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931
1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119295658
ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
CID 119338388
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
CID 119315863
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119281754) is 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCCc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is WMJBDEHSIJWUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c16-13-6-4-12(5-7-13)8-11-18-14(19)15(17)9-2-1-3-10-15;/h4-7H,1-3,8-11,17H2,(H,18,19);1H.
What are the key properties of 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119281754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).