2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide

C21H22FN3O — CID 102425514

IUPAC2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESN#Cc1ccccc1NC(C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c22-17-12-10-15(11-13-17)20(21(26)24-18-7-2-1-3-8-18)25-19-9-5-4-6-16(19)14-23/h4-6,9-13,18,20,25H,1-3,7-8H2,(H,24,26)
InChIKeyBNESTFOVCWIPGB-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.30
Rot. Bonds5

About 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide

2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide (PubChem CID 102425514) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
PubChem CID102425514
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESN#Cc1ccccc1NC(C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c22-17-12-10-15(11-13-17)20(21(26)24-18-7-2-1-3-8-18)25-19-9-5-4-6-16(19)14-23/h4-6,9-13,18,20,25H,1-3,7-8H2,(H,24,26)
InChIKeyBNESTFOVCWIPGB-UHFFFAOYSA-N
XLogP4.30
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanoanilino)-N-cyclohexyl-2-(3-nitrophenyl)acetamide
CID 102425503
2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
2-chloro-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 62224247
2-(cyclopentylamino)benzonitrile
CID 10535560
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373528
2-(2-cyano-3-fluoroanilino)-N-cyclopentylpropanamide
CID 43580689
2-cyano-N-[cyclopentyl-(4-fluorophenyl)methyl]benzenesulfonamide
CID 42962447
N-cyclopropyl-2-(4-ethylanilino)-2-(4-fluorophenyl)acetamide
CID 42931280

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide (CID 102425514) is 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide is N#Cc1ccccc1NC(C(=O)NC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The InChIKey is BNESTFOVCWIPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c22-17-12-10-15(11-13-17)20(21(26)24-18-7-2-1-3-8-18)25-19-9-5-4-6-16(19)14-23/h4-6,9-13,18,20,25H,1-3,7-8H2,(H,24,26).
What are the key properties of 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-cyclohexyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 102425514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).