2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide

C14H15F2NO2 — CID 79120460

IUPAC2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1c(F)cccc1F)C1CCC(=O)CC1
InChIInChI=1S/C14H15F2NO2/c1-17(9-5-7-10(18)8-6-9)14(19)13-11(15)3-2-4-12(13)16/h2-4,9H,5-8H2,1H3
InChIKeyRMEIGFWYOFCUHP-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.55
Rot. Bonds2

About 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide

2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide (PubChem CID 79120460) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
PubChem CID79120460
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
SMILESCN(C(=O)c1c(F)cccc1F)C1CCC(=O)CC1
InChIInChI=1S/C14H15F2NO2/c1-17(9-5-7-10(18)8-6-9)14(19)13-11(15)3-2-4-12(13)16/h2-4,9H,5-8H2,1H3
InChIKeyRMEIGFWYOFCUHP-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

2-chloro-3-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 81453111
2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
3-fluoro-N,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 113395910
N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917885
4-bromo-2-fluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120141
5-fluoro-N-methyl-N-(4-oxocyclohexyl)pyridine-2-carboxamide
CID 104638616
N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107012641
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410
methyl-(4-oxocyclohexyl)carbamic acid
CID 22236346
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-bromo-6-fluoro-N-methylbenzamide
CID 114560175
4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide
CID 115686751

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The IUPAC name of 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide (CID 79120460) is 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide is CN(C(=O)c1c(F)cccc1F)C1CCC(=O)CC1.
What is the InChIKey of 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
The InChIKey is RMEIGFWYOFCUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-17(9-5-7-10(18)8-6-9)14(19)13-11(15)3-2-4-12(13)16/h2-4,9H,5-8H2,1H3.
What are the key properties of 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide?
2,6-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 2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide is sourced from PubChem (CID 79120460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).