2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide

C17H18F2N2O3 — CID 24652292

IUPAC2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccccc2)cc1OC(F)F
InChIInChI=1S/C17H18F2N2O3/c1-11(16(22)21-12-6-4-3-5-7-12)20-13-8-9-14(23-2)15(10-13)24-17(18)19/h3-11,17,20H,1-2H3,(H,21,22)
InChIKeyUXZFQGLVGBRAQY-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.74
Rot. Bonds7

About 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide

2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide (PubChem CID 24652292) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
PubChem CID24652292
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccccc2)cc1OC(F)F
InChIInChI=1S/C17H18F2N2O3/c1-11(16(22)21-12-6-4-3-5-7-12)20-13-8-9-14(23-2)15(10-13)24-17(18)19/h3-11,17,20H,1-2H3,(H,21,22)
InChIKeyUXZFQGLVGBRAQY-UHFFFAOYSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
N-(3,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652283
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652325
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
N-(4-bromophenyl)-2-(3,4-dimethoxyanilino)propanamide
CID 78670435
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 42941670
(2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 38084227
N-(cyclopropylcarbamoyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652338
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
CID 25346916

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide?
The IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide (CID 24652292) is 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide?
The canonical SMILES for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide is COc1ccc(NC(C)C(=O)Nc2ccccc2)cc1OC(F)F.
What is the InChIKey of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide?
The InChIKey is UXZFQGLVGBRAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-11(16(22)21-12-6-4-3-5-7-12)20-13-8-9-14(23-2)15(10-13)24-17(18)19/h3-11,17,20H,1-2H3,(H,21,22).
What are the key properties of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide?
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide has a molecular weight of 336.34 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide is sourced from PubChem (CID 24652292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).