3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide

C11H12F3NO2 — CID 110480436

IUPAC3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
SMILESCOCCC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3NO2/c1-17-5-4-9(16)15-6-7-2-3-8(12)11(14)10(7)13/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyLJCMMNYQGFTXSE-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.76
Rot. Bonds5

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

3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide (PubChem CID 110480436) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
PubChem CID110480436
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide
SMILESCOCCC(=O)NCc1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3NO2/c1-17-5-4-9(16)15-6-7-2-3-8(12)11(14)10(7)13/h2-3H,4-6H2,1H3,(H,15,16)
InChIKeyLJCMMNYQGFTXSE-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]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

N-[(2,3,4-trifluorophenyl)methyl]propanamide
CID 110477463
6-amino-N-[(2,3,4-trifluorophenyl)methyl]hexanamide
CID 110482622
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654562
3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 110482951
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
4-amino-N-[(2,3,4-trifluorophenyl)methyl]benzamide
CID 110483102
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487486
N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine
CID 62965672

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide?
The IUPAC name of 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide (CID 110480436) is 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide?
The canonical SMILES for 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide is COCCC(=O)NCc1ccc(F)c(F)c1F.
What is the InChIKey of 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide?
The InChIKey is LJCMMNYQGFTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-5-4-9(16)15-6-7-2-3-8(12)11(14)10(7)13/h2-3H,4-6H2,1H3,(H,15,16).
What are the key properties of 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide?
3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide has a molecular weight of 247.22 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2,3,4-trifluorophenyl)methyl]propanamide is sourced from PubChem (CID 110480436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).