2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide

C15H20BrNO — CID 80972166

IUPAC2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NC2(C)CCCCC2)c1
InChIInChI=1S/C15H20BrNO/c1-11-6-7-13(16)12(10-11)14(18)17-15(2)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyJZLHRZATBBTQCQ-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.21
Rot. Bonds2

About 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide

2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide (PubChem CID 80972166) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
PubChem CID80972166
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NC2(C)CCCCC2)c1
InChIInChI=1S/C15H20BrNO/c1-11-6-7-13(16)12(10-11)14(18)17-15(2)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyJZLHRZATBBTQCQ-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
CID 80987670
2-bromo-5-fluoro-N-(1-methylcyclohexyl)benzamide
CID 61217018
2-hydroxy-4-methyl-N-(1-methylcyclohexyl)benzamide
CID 61216850
2-bromo-N-[1-(chloromethyl)cyclopentyl]-5-methylbenzamide
CID 114300743
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
5-methyl-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499534
N-(1-bicyclo[1.1.1]pentanyl)-2-bromo-5-methylbenzamide
CID 172646961
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide
CID 103853566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide (CID 80972166) is 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide is Cc1ccc(Br)c(C(=O)NC2(C)CCCCC2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide?
The InChIKey is JZLHRZATBBTQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-6-7-13(16)12(10-11)14(18)17-15(2)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide?
2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide has a molecular weight of 310.24 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(1-methylcyclohexyl)benzamide is sourced from PubChem (CID 80972166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).