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

C16H14F3NO2 — CID 26358946

IUPAC3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCc1ccccc1OCCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H14F3NO2/c1-10-4-2-3-5-13(10)22-9-8-14(21)20-12-7-6-11(17)15(18)16(12)19/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyNFXGDNBSPSEVFT-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.82
Rot. Bonds5

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

3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 26358946) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID26358946
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide
SMILESCc1ccccc1OCCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H14F3NO2/c1-10-4-2-3-5-13(10)22-9-8-14(21)20-12-7-6-11(17)15(18)16(12)19/h2-7H,8-9H2,1H3,(H,20,21)
InChIKeyNFXGDNBSPSEVFT-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylphenoxy)-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

4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
methyl 4-methyl-3-[3-(2-methylphenoxy)propanoylamino]benzoate
CID 8920295
N-methyl-3-(2-methylphenoxy)propanamide
CID 60637088
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 9153894
N-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenoxy)propanamide
CID 17425680
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791
2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 29403471
2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 28918889
N-(2-fluorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]acetamide
CID 78898101
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
CID 63268657

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide (CID 26358946) is 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide is Cc1ccccc1OCCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is NFXGDNBSPSEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-10-4-2-3-5-13(10)22-9-8-14(21)20-12-7-6-11(17)15(18)16(12)19/h2-7H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide?
3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 309.29 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 26358946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).