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

C17H16F3NO3 — CID 86985434

IUPAC2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H16F3NO3/c1-10(24-9-11-4-3-5-12(8-11)23-2)17(22)21-14-7-6-13(18)15(19)16(14)20/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyJVXFMKVZLGMPJN-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.66
Rot. Bonds6

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

2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 86985434) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID86985434
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H16F3NO3/c1-10(24-9-11-4-3-5-12(8-11)23-2)17(22)21-14-7-6-13(18)15(19)16(14)20/h3-8,10H,9H2,1-2H3,(H,21,22)
InChIKeyJVXFMKVZLGMPJN-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-propan-2-ylbenzamide
CID 60552955
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
methyl 5-[[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]amino]thiophene-2-carboxylate
CID 38934348
N'-[2-(4-chlorophenyl)acetyl]-2-[(3-methoxyphenyl)methoxy]propanehydrazide
CID 46452966
2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-N-(1-phenylethyl)benzamide
CID 43077572
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887840
(2R)-N-[3-(ethylaminomethyl)phenyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 124570178
3-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540630
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 112823604
N-[(2,4-dichlorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 43077370

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide (CID 86985434) is 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide is COc1cccc(COC(C)C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is JVXFMKVZLGMPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-10(24-9-11-4-3-5-12(8-11)23-2)17(22)21-14-7-6-13(18)15(19)16(14)20/h3-8,10H,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide?
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 339.31 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 86985434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).