3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

C19H20F3NO3 — CID 78848365

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F3NO3/c1-23(12-13-25-16-9-5-15(20)6-10-16)18(24)11-4-14-2-7-17(8-3-14)26-19(21)22/h2-3,5-10,19H,4,11-13H2,1H3
InChIKeyWBZSVWMEYSUVID-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.90
Rot. Bonds9

About 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 78848365) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID78848365
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F3NO3/c1-23(12-13-25-16-9-5-15(20)6-10-16)18(24)11-4-14-2-7-17(8-3-14)26-19(21)22/h2-3,5-10,19H,4,11-13H2,1H3
InChIKeyWBZSVWMEYSUVID-UHFFFAOYSA-N
XLogP3.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
N-(3-amino-4-methylpentyl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119660115
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide;hydrochloride
CID 120608367
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
N-(1-aminopropan-2-yl)-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 119584021

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (CID 78848365) is 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is CN(CCOc1ccc(F)cc1)C(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is WBZSVWMEYSUVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-23(12-13-25-16-9-5-15(20)6-10-16)18(24)11-4-14-2-7-17(8-3-14)26-19(21)22/h2-3,5-10,19H,4,11-13H2,1H3.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 367.37 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 78848365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).