2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide

C21H20F2N2O — CID 174865932

IUPAC2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide
SMILESN#Cc1ccc(C2CCC(CC(=O)Nc3cccc(F)c3F)CC2)cc1
InChIInChI=1S/C21H20F2N2O/c22-18-2-1-3-19(21(18)23)25-20(26)12-14-4-8-16(9-5-14)17-10-6-15(13-24)7-11-17/h1-3,6-7,10-11,14,16H,4-5,8-9,12H2,(H,25,26)
InChIKeyLYKJJGHABPTCMA-UHFFFAOYSA-N
MW354.40 g/mol
LogP5.14
Rot. Bonds4

About 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide

2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide (PubChem CID 174865932) has the molecular formula C21H20F2N2O and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide
PubChem CID174865932
Molecular FormulaC21H20F2N2O
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide
SMILESN#Cc1ccc(C2CCC(CC(=O)Nc3cccc(F)c3F)CC2)cc1
InChIInChI=1S/C21H20F2N2O/c22-18-2-1-3-19(21(18)23)25-20(26)12-14-4-8-16(9-5-14)17-10-6-15(13-24)7-11-17/h1-3,6-7,10-11,14,16H,4-5,8-9,12H2,(H,25,26)
InChIKeyLYKJJGHABPTCMA-UHFFFAOYSA-N
XLogP5.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-difluorophenyl)-2-(4-phenylcyclohexyl)acetamide
CID 174866386
N-(4-cyanophenyl)-2-[(1R,3S)-3-phenylcyclopentyl]acetamide
CID 121324973
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
N-(4-cyanophenyl)-2-[4-[3-(nitrosomethyl)phenyl]cyclohexyl]acetamide
CID 138502772
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813097
2-[(1R)-cyclopent-2-en-1-yl]-N-(2,3-difluorophenyl)acetamide
CID 94813098
N-(4-chloro-2-fluorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]acetamide
CID 160996728
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
N-(4-chlorophenyl)-2-[4-(2,3-difluorophenyl)cyclohexyl]acetamide
CID 174865886
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
N-(2-cyano-3-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 63611856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide (CID 174865932) is 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide is N#Cc1ccc(C2CCC(CC(=O)Nc3cccc(F)c3F)CC2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide?
The InChIKey is LYKJJGHABPTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O/c22-18-2-1-3-19(21(18)23)25-20(26)12-14-4-8-16(9-5-14)17-10-6-15(13-24)7-11-17/h1-3,6-7,10-11,14,16H,4-5,8-9,12H2,(H,25,26).
What are the key properties of 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide?
2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide has a molecular weight of 354.40 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)cyclohexyl]-N-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 174865932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).