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

C16H24BrClN2O — CID 119295658

IUPAC1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-12(11-13-5-7-14(17)8-6-13)19-15(20)16(18)9-3-2-4-10-16;/h5-8,12H,2-4,9-11,18H2,1H3,(H,19,20);1H
InChIKeyWYAOJLOCAZWFLZ-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.58
Rot. Bonds4

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

1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119295658) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119295658
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC Name1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-12(11-13-5-7-14(17)8-6-13)19-15(20)16(18)9-3-2-4-10-16;/h5-8,12H,2-4,9-11,18H2,1H3,(H,19,20);1H
InChIKeyWYAOJLOCAZWFLZ-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802
1-amino-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119341116
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
1-amino-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119263591
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466
methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 10567712
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 81359922
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119269431
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119295658) is 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is CC(Cc1ccc(Br)cc1)NC(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is WYAOJLOCAZWFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-12(11-13-5-7-14(17)8-6-13)19-15(20)16(18)9-3-2-4-10-16;/h5-8,12H,2-4,9-11,18H2,1H3,(H,19,20);1H.
What are the key properties of 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119295658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).