3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide

C17H13F5N2O2 — CID 113135320

IUPAC3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(F)cccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F5N2O2/c1-9(25)24(13-6-5-10(18)15(21)16(13)22)8-7-14(26)23-17-11(19)3-2-4-12(17)20/h2-6H,7-8H2,1H3,(H,23,26)
InChIKeyCOFGYXZIPPSXKP-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.76
Rot. Bonds5

About 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide

3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide (PubChem CID 113135320) has the molecular formula C17H13F5N2O2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
PubChem CID113135320
Molecular FormulaC17H13F5N2O2
Molecular Weight372.29 g/mol
Exact Mass372.09
IUPAC Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(F)cccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F5N2O2/c1-9(25)24(13-6-5-10(18)15(21)16(13)22)8-7-14(26)23-17-11(19)3-2-4-12(17)20/h2-6H,7-8H2,1H3,(H,23,26)
InChIKeyCOFGYXZIPPSXKP-UHFFFAOYSA-N
XLogP3.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-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-2,3,4-trifluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113135276
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide
CID 113135257
methyl 3-[3-(N-acetyl-2,3,4-trifluoroanilino)propanoylamino]benzoate
CID 113135306
3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 113125495
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113135222
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 113135212
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
CID 113133486
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-difluorophenyl)propanamide
CID 113135844
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113135238

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide (CID 113135320) is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(F)cccc1F)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide?
The InChIKey is COFGYXZIPPSXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O2/c1-9(25)24(13-6-5-10(18)15(21)16(13)22)8-7-14(26)23-17-11(19)3-2-4-12(17)20/h2-6H,7-8H2,1H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide?
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide has a molecular weight of 372.29 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide is sourced from PubChem (CID 113135320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).