5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide

C16H22BrNO — CID 65309384

IUPAC5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C16H22BrNO/c1-11-5-4-6-14(9-11)18(3)16(19)15-10-13(17)8-7-12(15)2/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyQVSLJEAMBBYLTM-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.41
Rot. Bonds2

About 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide

5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide (PubChem CID 65309384) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
PubChem CID65309384
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C16H22BrNO/c1-11-5-4-6-14(9-11)18(3)16(19)15-10-13(17)8-7-12(15)2/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyQVSLJEAMBBYLTM-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
5-bromo-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylbenzamide
CID 65307183
5-bromo-N-cyclopentyl-N-ethyl-2-methylbenzamide
CID 65306938
5-bromo-2-[methyl-(3-methylcyclohexyl)amino]benzoic acid
CID 114895667
3-bromo-N-methyl-N-(3-methylcyclohexyl)thiophene-2-carboxamide
CID 55028293
4-fluoro-N,3-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 63213240
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 65309509
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
6-bromo-N-cyclobutyl-N-methylnaphthalene-2-carboxamide
CID 115749091
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide?
The IUPAC name of 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide (CID 65309384) is 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide is Cc1ccc(Br)cc1C(=O)N(C)C1CCCC(C)C1.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide?
The InChIKey is QVSLJEAMBBYLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11-5-4-6-14(9-11)18(3)16(19)15-10-13(17)8-7-12(15)2/h7-8,10-11,14H,4-6,9H2,1-3H3.
What are the key properties of 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide?
5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide has a molecular weight of 324.26 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide is sourced from PubChem (CID 65309384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).