3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide

C14H17F2NO2 — CID 102635266

IUPAC3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)C1CCCCC1O
InChIInChI=1S/C14H17F2NO2/c1-17(12-4-2-3-5-13(12)18)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13,18H,2-5H2,1H3
InChIKeyDCQXAQYHTASPSV-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.34
Rot. Bonds2

About 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide

3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide (PubChem CID 102635266) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
PubChem CID102635266
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)C1CCCCC1O
InChIInChI=1S/C14H17F2NO2/c1-17(12-4-2-3-5-13(12)18)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13,18H,2-5H2,1H3
InChIKeyDCQXAQYHTASPSV-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 165361669
3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
CID 23349757
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 102634808
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
4-fluoro-N-methyl-N-(2-methylcyclohexyl)-3-sulfanylbenzamide
CID 107026520
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The IUPAC name of 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide (CID 102635266) is 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide is CN(C(=O)c1ccc(F)c(F)c1)C1CCCCC1O.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The InChIKey is DCQXAQYHTASPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-17(12-4-2-3-5-13(12)18)14(19)9-6-7-10(15)11(16)8-9/h6-8,12-13,18H,2-5H2,1H3.
What are the key properties of 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide has a molecular weight of 269.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 102635266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).