2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide

C14H15BrClNO2 — CID 114024487

IUPAC2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Br)C1CCC(=O)CC1
InChIInChI=1S/C14H15BrClNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(16)8-13(12)15/h2,7-8,10H,3-6H2,1H3
InChIKeyKOBFQDWYCVKXGJ-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.69
Rot. Bonds2

About 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide

2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 114024487) has the molecular formula C14H15BrClNO2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID114024487
Molecular FormulaC14H15BrClNO2
Molecular Weight344.64 g/mol
Exact Mass343.00
IUPAC Name2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Br)C1CCC(=O)CC1
InChIInChI=1S/C14H15BrClNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(16)8-13(12)15/h2,7-8,10H,3-6H2,1H3
InChIKeyKOBFQDWYCVKXGJ-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141
4-bromo-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79119736
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
4-bromo-3-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81296264
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
4-bromo-2-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 115369123
2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81453111
3-bromo-N,4-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 81471710
N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
CID 107990592
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 114024487) is 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1ccc(Cl)cc1Br)C1CCC(=O)CC1.
What is the InChIKey of 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is KOBFQDWYCVKXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-7-2-9(16)8-13(12)15/h2,7-8,10H,3-6H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide?
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 344.64 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 114024487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).