N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide

C17H15FN2O — CID 79954684

IUPACN-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
SMILESN#Cc1cc(F)ccc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C17H15FN2O/c18-15-9-10-16(14(11-15)12-19)20-17(21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2,(H,20,21)
InChIKeyPLWXQWXXEYNYJI-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.66
Rot. Bonds5

About N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide

N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide (PubChem CID 79954684) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
PubChem CID79954684
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC NameN-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
SMILESN#Cc1cc(F)ccc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C17H15FN2O/c18-15-9-10-16(14(11-15)12-19)20-17(21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2,(H,20,21)
InChIKeyPLWXQWXXEYNYJI-UHFFFAOYSA-N
XLogP3.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
5-fluoro-2-(2-phenylethylamino)benzonitrile
CID 63672929
N-(2-cyano-4-fluorophenyl)-2-phenacylsulfanylacetamide
CID 91662349
1-benzyl-3-(2-cyano-4-fluorophenyl)-1-methylurea
CID 78839682
(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide
CID 82682946
N-(2-cyano-4-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 79955008
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
CID 82015415
ethyl 4-(2-cyano-4-fluoroanilino)-4-oxobutanoate
CID 79952676

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide (CID 79954684) is N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide is N#Cc1cc(F)ccc1NC(=O)CCCc1ccccc1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide?
The InChIKey is PLWXQWXXEYNYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-15-9-10-16(14(11-15)12-19)20-17(21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2,(H,20,21).
What are the key properties of N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide?
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide has a molecular weight of 282.32 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide is sourced from PubChem (CID 79954684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).