2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide

C17H24BrNO — CID 81110329

IUPAC2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H24BrNO/c1-12-5-6-15(18)14(11-12)16(20)19(4)13-7-9-17(2,3)10-8-13/h5-6,11,13H,7-10H2,1-4H3
InChIKeyMYNSILVOSVGMOI-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.80
Rot. Bonds2

About 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide

2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide (PubChem CID 81110329) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide
PubChem CID81110329
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide
SMILESCc1ccc(Br)c(C(=O)N(C)C2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H24BrNO/c1-12-5-6-15(18)14(11-12)16(20)19(4)13-7-9-17(2,3)10-8-13/h5-6,11,13H,7-10H2,1-4H3
InChIKeyMYNSILVOSVGMOI-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
4-bromo-N-(4,4-dimethylcyclohexyl)-N-methyl-2-sulfanylbenzamide
CID 107032506
N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
CID 81112557
2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
2-bromo-N-cyclopropyl-5-methyl-N-propylbenzamide
CID 81005817
N-cycloheptyl-2-hydroxy-N,5-dimethylbenzamide
CID 43409240
2-bromo-N-(2-bromoethyl)-N-cyclobutyl-5-methylbenzamide
CID 102872929
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 114374499
2-bromo-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24705868
2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 114027530
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
CID 79121701

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide?
The IUPAC name of 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide (CID 81110329) is 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide is Cc1ccc(Br)c(C(=O)N(C)C2CCC(C)(C)CC2)c1.
What is the InChIKey of 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide?
The InChIKey is MYNSILVOSVGMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12-5-6-15(18)14(11-12)16(20)19(4)13-7-9-17(2,3)10-8-13/h5-6,11,13H,7-10H2,1-4H3.
What are the key properties of 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide?
2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide has a molecular weight of 338.29 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,4-dimethylcyclohexyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 81110329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).