2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide

C18H20F2N2O3 — CID 24652308

IUPAC2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccccc2C)cc1OC(F)F
InChIInChI=1S/C18H20F2N2O3/c1-11-6-4-5-7-14(11)22-17(23)12(2)21-13-8-9-15(24-3)16(10-13)25-18(19)20/h4-10,12,18,21H,1-3H3,(H,22,23)
InChIKeyLJRVPPKIIXEULU-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.04
Rot. Bonds7

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

2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide (PubChem CID 24652308) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
PubChem CID24652308
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(NC(C)C(=O)Nc2ccccc2C)cc1OC(F)F
InChIInChI=1S/C18H20F2N2O3/c1-11-6-4-5-7-14(11)22-17(23)12(2)21-13-8-9-15(24-3)16(10-13)25-18(19)20/h4-10,12,18,21H,1-3H3,(H,22,23)
InChIKeyLJRVPPKIIXEULU-UHFFFAOYSA-N
XLogP4.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.04
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-phenylpropanamide
CID 24652292
(2R)-N-[2-(difluoromethoxy)phenyl]-2-(3,4-dimethylanilino)propanamide
CID 25346916
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
N-(3,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652283
N-(2,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 42941663
N-(4-chloro-2-fluorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652325
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-(4,5-dimethoxy-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 51168758
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide (CID 24652308) is 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide is COc1ccc(NC(C)C(=O)Nc2ccccc2C)cc1OC(F)F.
What is the InChIKey of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide?
The InChIKey is LJRVPPKIIXEULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c1-11-6-4-5-7-14(11)22-17(23)12(2)21-13-8-9-15(24-3)16(10-13)25-18(19)20/h4-10,12,18,21H,1-3H3,(H,22,23).
What are the key properties of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide?
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide has a molecular weight of 350.37 g/mol, XLogP of 4.04, 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-(2-methylphenyl)propanamide is sourced from PubChem (CID 24652308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).