2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide

C14H16BrNO2 — CID 114023828

IUPAC2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cccc(C(=O)NC2CCC(=O)CC2)c1Br
InChIInChI=1S/C14H16BrNO2/c1-9-3-2-4-12(13(9)15)14(18)16-10-5-7-11(17)8-6-10/h2-4,10H,5-8H2,1H3,(H,16,18)
InChIKeyWRVRVZMTRSEOGO-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.00
Rot. Bonds2

About 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide

2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 114023828) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID114023828
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1cccc(C(=O)NC2CCC(=O)CC2)c1Br
InChIInChI=1S/C14H16BrNO2/c1-9-3-2-4-12(13(9)15)14(18)16-10-5-7-11(17)8-6-10/h2-4,10H,5-8H2,1H3,(H,16,18)
InChIKeyWRVRVZMTRSEOGO-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 107983181
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
CID 103855346
2-hydroxy-N-(4-oxocyclohexyl)benzamide
CID 43652857
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 103855167
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103855203
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide (CID 114023828) is 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide is Cc1cccc(C(=O)NC2CCC(=O)CC2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is WRVRVZMTRSEOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9-3-2-4-12(13(9)15)14(18)16-10-5-7-11(17)8-6-10/h2-4,10H,5-8H2,1H3,(H,16,18).
What are the key properties of 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide?
2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 310.19 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 114023828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).