N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide

C15H18BrNO2 — CID 115150493

IUPACN-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
SMILESO=C1CCC(C(=O)NCCc2ccccc2Br)CC1
InChIInChI=1S/C15H18BrNO2/c16-14-4-2-1-3-11(14)9-10-17-15(19)12-5-7-13(18)8-6-12/h1-4,12H,5-10H2,(H,17,19)
InChIKeyFJZZMMRZWGMDIL-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide

N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide (PubChem CID 115150493) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
PubChem CID115150493
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
SMILESO=C1CCC(C(=O)NCCc2ccccc2Br)CC1
InChIInChI=1S/C15H18BrNO2/c16-14-4-2-1-3-11(14)9-10-17-15(19)12-5-7-13(18)8-6-12/h1-4,12H,5-10H2,(H,17,19)
InChIKeyFJZZMMRZWGMDIL-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116
trans-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-propan-2-ylcyclohexane-1-carboxamide
CID 71012118
1-[2-(2-bromophenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002415
N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 48964058
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide
CID 71935204
N-[2-(2-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831515
N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide
CID 138024430
4-hydroxy-N-[2-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529250
N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide
CID 115150434

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide (CID 115150493) is N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide is O=C1CCC(C(=O)NCCc2ccccc2Br)CC1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide?
The InChIKey is FJZZMMRZWGMDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-14-4-2-1-3-11(14)9-10-17-15(19)12-5-7-13(18)8-6-12/h1-4,12H,5-10H2,(H,17,19).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide?
N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 115150493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).