2-methoxy-N-(2,3,4-trifluorophenyl)propanamide

C10H10F3NO2 — CID 112685527

IUPAC2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOC(C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO2/c1-5(16-2)10(15)14-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H,14,15)
InChIKeyMSKIGDSYRFJKKN-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.08
Rot. Bonds3

About 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide

2-methoxy-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 112685527) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID112685527
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOC(C)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO2/c1-5(16-2)10(15)14-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H,14,15)
InChIKeyMSKIGDSYRFJKKN-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-(2,3,4-trifluorophenyl)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

1-O-methyl 4-O-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] benzene-1,4-dicarboxylate
CID 7296578
methyl 4-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]oxybenzoate
CID 7965434
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949869
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-hydroxybenzoate
CID 7484915
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2,4,5-trimethoxybenzoate
CID 7394955
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methoxyphenoxy)propanoate
CID 46519596
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887840
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7523134
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833989
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2,3,4-trimethoxybenzoate
CID 7758496

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide (CID 112685527) is 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide is COC(C)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is MSKIGDSYRFJKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-5(16-2)10(15)14-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide?
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 233.19 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 112685527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).