2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide

C15H12F3NO — CID 21406754

IUPAC2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide
SMILESCC(C(N)=O)c1ccc(-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C15H12F3NO/c1-8(15(19)20)9-2-4-11(13(17)6-9)12-5-3-10(16)7-14(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyPVSTVTHLHHXVIU-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.36
Rot. Bonds3

About 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide

2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide (PubChem CID 21406754) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide
PubChem CID21406754
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide
SMILESCC(C(N)=O)c1ccc(-c2ccc(F)cc2F)c(F)c1
InChIInChI=1S/C15H12F3NO/c1-8(15(19)20)9-2-4-11(13(17)6-9)12-5-3-10(16)7-14(12)18/h2-8H,1H3,(H2,19,20)
InChIKeyPVSTVTHLHHXVIU-UHFFFAOYSA-N
XLogP3.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 21406779
2-(2,5-difluorophenyl)propanamide
CID 141213802
2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide
CID 139557591
2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetamide
CID 52936718
3-amino-3-[3-(2,4-difluorophenyl)-4-methylphenyl]propanoic acid
CID 135367196
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide
CID 154255414
2-(2-chloro-4-fluorophenyl)propanamide
CID 155026296
1-[4-(1-bromoethyl)phenyl]-2,4-difluorobenzene
CID 21322621
1-[2-(2,4-difluorophenyl)-4-fluorophenyl]ethanone
CID 22482372
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide?
The IUPAC name of 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide (CID 21406754) is 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide is CC(C(N)=O)c1ccc(-c2ccc(F)cc2F)c(F)c1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide?
The InChIKey is PVSTVTHLHHXVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-8(15(19)20)9-2-4-11(13(17)6-9)12-5-3-10(16)7-14(12)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide?
2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide has a molecular weight of 279.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide is sourced from PubChem (CID 21406754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).