3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide

C15H18BrNO2 — CID 81471710

IUPAC3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1Br
InChIInChI=1S/C15H18BrNO2/c1-10-3-4-11(9-14(10)16)15(19)17(2)12-5-7-13(18)8-6-12/h3-4,9,12H,5-8H2,1-2H3
InChIKeyDZTCPMXFABBFMO-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.34
Rot. Bonds2

About 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide

3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 81471710) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
PubChem CID81471710
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
SMILESCc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1Br
InChIInChI=1S/C15H18BrNO2/c1-10-3-4-11(9-14(10)16)15(19)17(2)12-5-7-13(18)8-6-12/h3-4,9,12H,5-8H2,1-2H3
InChIKeyDZTCPMXFABBFMO-UHFFFAOYSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
3-bromo-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 81471867
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
N-methyl-N-(4-oxocyclohexyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79119648
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79726601
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 113395910
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79119736
3-bromo-N-(2-chloroethyl)-N-cyclobutyl-4-methylbenzamide
CID 102872550
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide (CID 81471710) is 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide is Cc1ccc(C(=O)N(C)C2CCC(=O)CC2)cc1Br.
What is the InChIKey of 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is DZTCPMXFABBFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-10-3-4-11(9-14(10)16)15(19)17(2)12-5-7-13(18)8-6-12/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide?
3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 324.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 81471710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).