1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide

C16H23BrN2O — CID 119298802

IUPAC1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(Cc1cccc(Br)c1)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-12(10-13-6-5-7-14(17)11-13)19-15(20)16(18)8-3-2-4-9-16/h5-7,11-12H,2-4,8-10,18H2,1H3,(H,19,20)
InChIKeyCKHWOZPLFBFWOV-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.16
Rot. Bonds4

About 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide

1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 119298802) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID119298802
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
SMILESCC(Cc1cccc(Br)c1)NC(=O)C1(N)CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-12(10-13-6-5-7-14(17)11-13)19-15(20)16(18)8-3-2-4-9-16/h5-7,11-12H,2-4,8-10,18H2,1H3,(H,19,20)
InChIKeyCKHWOZPLFBFWOV-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide 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-[1-(4-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119295658
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-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
1-amino-N-[1-(furan-2-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 81179466
1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119863121
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996
methyl 2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate
CID 74316393
1-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119300012

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide (CID 119298802) is 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide is CC(Cc1cccc(Br)c1)NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is CKHWOZPLFBFWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(10-13-6-5-7-14(17)11-13)19-15(20)16(18)8-3-2-4-9-16/h5-7,11-12H,2-4,8-10,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide?
1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.16, 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-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119298802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).