3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide

C18H17F3N2O2 — CID 113135257

IUPAC3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O2/c1-11-4-3-5-13(10-11)22-16(25)8-9-23(12(2)24)15-7-6-14(19)17(20)18(15)21/h3-7,10H,8-9H2,1-2H3,(H,22,25)
InChIKeyMMXISDJCMZPNAZ-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.79
Rot. Bonds5

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

3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide (PubChem CID 113135257) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide
PubChem CID113135257
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O2/c1-11-4-3-5-13(10-11)22-16(25)8-9-23(12(2)24)15-7-6-14(19)17(20)18(15)21/h3-7,10H,8-9H2,1-2H3,(H,22,25)
InChIKeyMMXISDJCMZPNAZ-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 113126717
methyl 3-[3-(N-acetyl-2,3,4-trifluoroanilino)propanoylamino]benzoate
CID 113135306
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,6-difluorophenyl)propanamide
CID 113135320
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-2-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126725
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113135276
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
2-(N-acetyl-2,6-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113181456
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
methyl 3-[acetyl-[3-(3-methylanilino)-3-oxopropyl]amino]-4-chlorobenzoate
CID 113131623
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-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide (CID 113135257) is 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is MMXISDJCMZPNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-11-4-3-5-13(10-11)22-16(25)8-9-23(12(2)24)15-7-6-14(19)17(20)18(15)21/h3-7,10H,8-9H2,1-2H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide?
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 350.34 g/mol, XLogP of 3.79, 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-(3-methylphenyl)propanamide is sourced from PubChem (CID 113135257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).