3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide

C17H15F3N2O2 — CID 113132521

IUPAC3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(14-4-2-3-12(18)9-14)8-7-17(24)21-13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyQPGIAAPMQIQILI-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.49
Rot. Bonds5

About 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide

3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide (PubChem CID 113132521) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
PubChem CID113132521
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C17H15F3N2O2/c1-11(23)22(14-4-2-3-12(18)9-14)8-7-17(24)21-13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24)
InChIKeyQPGIAAPMQIQILI-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)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

3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-2,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113133551
3-(N-acetyl-4-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 113128648
3-(N-acetyl-3-fluoroanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113132451
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-3,4-difluoroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113135622
3-(N-acetyl-2,3-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113125150

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide (CID 113132521) is 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide?
The InChIKey is QPGIAAPMQIQILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11(23)22(14-4-2-3-12(18)9-14)8-7-17(24)21-13-5-6-15(19)16(20)10-13/h2-6,9-10H,7-8H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide?
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide has a molecular weight of 336.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 113132521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).