4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide

C16H23BrN2O — CID 115150582

IUPAC4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1CCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C16H23BrN2O/c1-11-2-5-14(17)10-13(11)8-9-19-16(20)12-3-6-15(18)7-4-12/h2,5,10,12,15H,3-4,6-9,18H2,1H3,(H,19,20)
InChIKeyXQODYJBBJVFSDC-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide

4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 115150582) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID115150582
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1CCNC(=O)C1CCC(N)CC1
InChIInChI=1S/C16H23BrN2O/c1-11-2-5-14(17)10-13(11)8-9-19-16(20)12-3-6-15(18)7-4-12/h2,5,10,12,15H,3-4,6-9,18H2,1H3,(H,19,20)
InChIKeyXQODYJBBJVFSDC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide
CID 138057699
N-[2-(5-bromo-2-methoxyphenyl)ethyl]cyclopentanecarboxamide
CID 110788021
ethyl 2-[2-(5-bromo-2-methylphenyl)ethylamino]-2-oxoacetate
CID 115142069
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327
N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide
CID 115150434
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
4-amino-N-[2-(5-methylfuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115150584
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
2-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115179465
4-hydroxy-N-[2-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529250

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide (CID 115150582) is 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide is Cc1ccc(Br)cc1CCNC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is XQODYJBBJVFSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11-2-5-14(17)10-13(11)8-9-19-16(20)12-3-6-15(18)7-4-12/h2,5,10,12,15H,3-4,6-9,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115150582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).