N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide

C17H15FN2O — CID 24710774

IUPACN-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
SMILESN#CCCN(C(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H15FN2O/c18-15-9-7-14(8-10-15)13-17(21)20(12-4-11-19)16-5-2-1-3-6-16/h1-3,5-10H,4,12-13H2
InChIKeyAPFJFXJFMUPBQL-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.32
Rot. Bonds5

About N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide

N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide (PubChem CID 24710774) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
PubChem CID24710774
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
SMILESN#CCCN(C(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H15FN2O/c18-15-9-7-14(8-10-15)13-17(21)20(12-4-11-19)16-5-2-1-3-6-16/h1-3,5-10H,4,12-13H2
InChIKeyAPFJFXJFMUPBQL-UHFFFAOYSA-N
XLogP3.32
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 82134140
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 16524094
2-(3-chlorophenyl)-N-(2-cyanoethyl)-N-phenylacetamide
CID 62504093
N-(2-cyanoethyl)-2-[4-(4-fluorobenzoyl)phenoxy]-N-phenylacetamide
CID 46805536
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 8704113
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2433393
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31958823
N-(2-cyanoethyl)-3,4-difluoro-N-phenylbenzamide
CID 24702771
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 18126857
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824295
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide (CID 24710774) is N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide is N#CCCN(C(=O)Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide?
The InChIKey is APFJFXJFMUPBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-15-9-7-14(8-10-15)13-17(21)20(12-4-11-19)16-5-2-1-3-6-16/h1-3,5-10H,4,12-13H2.
What are the key properties of N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide?
N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide has a molecular weight of 282.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide is sourced from PubChem (CID 24710774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).