3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide

C16H13FN2O — CID 82134145

IUPAC3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide
SMILESN#CC(CC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-12(7-9-14)13(11-18)10-16(20)19-15-4-2-1-3-5-15/h1-9,13H,10H2,(H,19,20)
InChIKeyMGWWAACDVQRZFA-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.46
Rot. Bonds4

About 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide

3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide (PubChem CID 82134145) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide
PubChem CID82134145
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide
SMILESN#CC(CC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-12(7-9-14)13(11-18)10-16(20)19-15-4-2-1-3-5-15/h1-9,13H,10H2,(H,19,20)
InChIKeyMGWWAACDVQRZFA-UHFFFAOYSA-N
XLogP3.46
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide?
The IUPAC name of 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide (CID 82134145) is 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide.
What is the SMILES notation for 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide?
The canonical SMILES for 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide is N#CC(CC(=O)Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide?
The InChIKey is MGWWAACDVQRZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-8-6-12(7-9-14)13(11-18)10-16(20)19-15-4-2-1-3-5-15/h1-9,13H,10H2,(H,19,20).
What are the key properties of 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide?
3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide has a molecular weight of 268.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-3-(4-fluorophenyl)-N-phenylpropanamide is sourced from PubChem (CID 82134145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).