2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide

C16H15F3N2O — CID 112990145

IUPAC2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H15F3N2O/c1-9(2)16(22)21-11-5-3-10(4-6-11)20-13-8-7-12(17)14(18)15(13)19/h3-9,20H,1-2H3,(H,21,22)
InChIKeyFHTDQWXMMHIORL-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.44
Rot. Bonds4

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

2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide (PubChem CID 112990145) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide
PubChem CID112990145
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H15F3N2O/c1-9(2)16(22)21-11-5-3-10(4-6-11)20-13-8-7-12(17)14(18)15(13)19/h3-9,20H,1-2H3,(H,21,22)
InChIKeyFHTDQWXMMHIORL-UHFFFAOYSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.44
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

methyl N-[4-(2,3,4-trifluoroanilino)phenyl]carbamate
CID 112990169
N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide
CID 112990147
N-(4-chlorophenyl)-2,3,4-trifluoroaniline
CID 82536911
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
N-[4-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43346560
methyl 2-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112988412
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide
CID 112990152
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949869
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109197490
(2S)-2-[(2,3,4-trifluorophenyl)carbamoylamino]propanoic acid
CID 28508673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide (CID 112990145) is 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide is CC(C)C(=O)Nc1ccc(Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide?
The InChIKey is FHTDQWXMMHIORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-9(2)16(22)21-11-5-3-10(4-6-11)20-13-8-7-12(17)14(18)15(13)19/h3-9,20H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide?
2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide has a molecular weight of 308.30 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2,3,4-trifluoroanilino)phenyl]propanamide is sourced from PubChem (CID 112990145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).