2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide

C14H15F2NO2 — CID 79120708

IUPAC2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1cc(F)ccc1F)C1CCC(=O)CC1
InChIInChI=1S/C14H15F2NO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-8-9(15)2-7-13(12)16/h2,7-8,10H,3-6H2,1H3
InChIKeyPUMILFWPZUBWLS-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.55
Rot. Bonds2

About 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide

2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 79120708) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID79120708
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1cc(F)ccc1F)C1CCC(=O)CC1
InChIInChI=1S/C14H15F2NO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-8-9(15)2-7-13(12)16/h2,7-8,10H,3-6H2,1H3
InChIKeyPUMILFWPZUBWLS-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81453111
2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120460
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 113395910
N-cyclohexyl-2-fluoro-N,5-dimethylbenzamide
CID 62510377
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)-5-sulfanylbenzamide
CID 107020927
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 79120708) is 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1cc(F)ccc1F)C1CCC(=O)CC1.
What is the InChIKey of 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is PUMILFWPZUBWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-17(10-3-5-11(18)6-4-10)14(19)12-8-9(15)2-7-13(12)16/h2,7-8,10H,3-6H2,1H3.
What are the key properties of 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide has a molecular weight of 267.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 79120708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).