2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C19H21F3N2O3 — CID 134039310

IUPAC2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(NC(C)C(=O)N(C)Cc2cccc(F)c2)cc1OC(F)F
InChIInChI=1S/C19H21F3N2O3/c1-12(18(25)24(2)11-13-5-4-6-14(20)9-13)23-15-7-8-16(26-3)17(10-15)27-19(21)22/h4-10,12,19,23H,11H2,1-3H3
InChIKeyRCKXWFIEPHTLRE-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.89
Rot. Bonds8

About 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 134039310) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID134039310
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(NC(C)C(=O)N(C)Cc2cccc(F)c2)cc1OC(F)F
InChIInChI=1S/C19H21F3N2O3/c1-12(18(25)24(2)11-13-5-4-6-14(20)9-13)23-15-7-8-16(26-3)17(10-15)27-19(21)22/h4-10,12,19,23H,11H2,1-3H3
InChIKeyRCKXWFIEPHTLRE-UHFFFAOYSA-N
XLogP3.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
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

N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide
CID 134031135
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730
5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide
CID 95255161
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
methyl 2-[3-(difluoromethoxy)-4-methoxyanilino]propanoate
CID 66174525
N-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55619064
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
N-(3-chlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652282
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
methyl 2-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842851

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 134039310) is 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is COc1ccc(NC(C)C(=O)N(C)Cc2cccc(F)c2)cc1OC(F)F.
What is the InChIKey of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is RCKXWFIEPHTLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-12(18(25)24(2)11-13-5-4-6-14(20)9-13)23-15-7-8-16(26-3)17(10-15)27-19(21)22/h4-10,12,19,23H,11H2,1-3H3.
What are the key properties of 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 382.38 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 134039310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).