N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide

C15H20BrNO — CID 106827400

IUPACN-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C15H20BrNO/c1-11-6-7-12(16)10-13(11)17-14(18)15(2)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyMAADMTKZJULSQH-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.67
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide

N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106827400) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID106827400
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C15H20BrNO/c1-11-6-7-12(16)10-13(11)17-14(18)15(2)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyMAADMTKZJULSQH-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 105002347
N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78981313
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323
1-(5-bromo-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103612
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide (CID 106827400) is N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide is Cc1ccc(Br)cc1NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is MAADMTKZJULSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11-6-7-12(16)10-13(11)17-14(18)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 N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide?
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 310.23 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106827400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).