N-phenyl-3-(2,3,4-trifluoroanilino)propanamide

C15H13F3N2O — CID 109033887

IUPACN-phenyl-3-(2,3,4-trifluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1F)Nc1ccccc1
InChIInChI=1S/C15H13F3N2O/c16-11-6-7-12(15(18)14(11)17)19-9-8-13(21)20-10-4-2-1-3-5-10/h1-7,19H,8-9H2,(H,20,21)
InChIKeyFFQFYWLQHAAIIJ-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.54
Rot. Bonds5

About N-phenyl-3-(2,3,4-trifluoroanilino)propanamide

N-phenyl-3-(2,3,4-trifluoroanilino)propanamide (PubChem CID 109033887) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-phenyl-3-(2,3,4-trifluoroanilino)propanamide.

Molecular Properties

Compound NameN-phenyl-3-(2,3,4-trifluoroanilino)propanamide
PubChem CID109033887
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-phenyl-3-(2,3,4-trifluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1F)Nc1ccccc1
InChIInChI=1S/C15H13F3N2O/c16-11-6-7-12(15(18)14(11)17)19-9-8-13(21)20-10-4-2-1-3-5-10/h1-7,19H,8-9H2,(H,20,21)
InChIKeyFFQFYWLQHAAIIJ-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109036338
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
3-fluoro-N-phenylpropanamide
CID 70366284
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
CID 18155036
3-(4-piperidin-1-ylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109041851
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(2,3,4-trifluoroanilino)propanamide?
The IUPAC name of N-phenyl-3-(2,3,4-trifluoroanilino)propanamide (CID 109033887) is N-phenyl-3-(2,3,4-trifluoroanilino)propanamide.
What is the SMILES notation for N-phenyl-3-(2,3,4-trifluoroanilino)propanamide?
The canonical SMILES for N-phenyl-3-(2,3,4-trifluoroanilino)propanamide is O=C(CCNc1ccc(F)c(F)c1F)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-(2,3,4-trifluoroanilino)propanamide?
The InChIKey is FFQFYWLQHAAIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-11-6-7-12(15(18)14(11)17)19-9-8-13(21)20-10-4-2-1-3-5-10/h1-7,19H,8-9H2,(H,20,21).
What are the key properties of N-phenyl-3-(2,3,4-trifluoroanilino)propanamide?
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide has a molecular weight of 294.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(2,3,4-trifluoroanilino)propanamide is sourced from PubChem (CID 109033887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).