2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide

C15H19F2NO2 — CID 102634808

IUPAC2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)C2CCCCC2O)c1F
InChIInChI=1S/C15H19F2NO2/c1-9-7-8-10(16)13(14(9)17)15(20)18(2)11-5-3-4-6-12(11)19/h7-8,11-12,19H,3-6H2,1-2H3
InChIKeyIAFXTAGNBVRCRE-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.65
Rot. Bonds2

About 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide

2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide (PubChem CID 102634808) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
PubChem CID102634808
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)C2CCCCC2O)c1F
InChIInChI=1S/C15H19F2NO2/c1-9-7-8-10(16)13(14(9)17)15(20)18(2)11-5-3-4-6-12(11)19/h7-8,11-12,19H,3-6H2,1-2H3
InChIKeyIAFXTAGNBVRCRE-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
2,6-difluoro-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82815007
5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 103296931
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
N-(3-aminopropyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82798367
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 102634585
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide (CID 102634808) is 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide is Cc1ccc(F)c(C(=O)N(C)C2CCCCC2O)c1F.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide?
The InChIKey is IAFXTAGNBVRCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-9-7-8-10(16)13(14(9)17)15(20)18(2)11-5-3-4-6-12(11)19/h7-8,11-12,19H,3-6H2,1-2H3.
What are the key properties of 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide?
2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide has a molecular weight of 283.32 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 102634808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).