2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide

C20H27F2NO — CID 121325202

IUPAC2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CC1CCC(C2CCCCC2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H27F2NO/c21-18-11-10-17(13-19(18)22)23-20(24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h10-11,13-16H,1-9,12H2,(H,23,24)
InChIKeyXJWRWZLTQOQGHO-UHFFFAOYSA-N
MW335.44 g/mol
LogP5.68
Rot. Bonds4

About 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide

2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 121325202) has the molecular formula C20H27F2NO and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide
PubChem CID121325202
Molecular FormulaC20H27F2NO
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CC1CCC(C2CCCCC2)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H27F2NO/c21-18-11-10-17(13-19(18)22)23-20(24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h10-11,13-16H,1-9,12H2,(H,23,24)
InChIKeyXJWRWZLTQOQGHO-UHFFFAOYSA-N
XLogP5.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.44
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
2-cyclopentyl-N-[3-fluoro-4-(methylamino)phenyl]acetamide
CID 167956029
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
2-cyclopentyl-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 65434302
3-(cycloheptylamino)-N-(3,4-difluorophenyl)propanamide
CID 109031667
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
2-cyclopentyl-N-[4-[(3,4-difluoroanilino)methyl]-2,6-dimethylphenyl]acetamide
CID 11632151
3-[4-[(2-cyclopropylacetyl)amino]-2-fluorophenyl]prop-2-enoic acid
CID 77069539
2-(1-acetylpiperidin-4-yl)-N-[4-(3,4-difluorophenyl)phenyl]acetamide
CID 58442908
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide (CID 121325202) is 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide is O=C(CC1CCC(C2CCCCC2)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is XJWRWZLTQOQGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2NO/c21-18-11-10-17(13-19(18)22)23-20(24)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h10-11,13-16H,1-9,12H2,(H,23,24).
What are the key properties of 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide?
2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 335.44 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 121325202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).