3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide

C18H15F6NO2 — CID 78876423

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H15F6NO2/c19-13-5-4-12(15(9-13)18(22,23)24)10-25-16(26)8-3-11-1-6-14(7-2-11)27-17(20)21/h1-2,4-7,9,17H,3,8,10H2,(H,25,26)
InChIKeyZAAFJKJAKYGTRU-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.69
Rot. Bonds7

About 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide

3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 78876423) has the molecular formula C18H15F6NO2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID78876423
Molecular FormulaC18H15F6NO2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ccc(OC(F)F)cc1)NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H15F6NO2/c19-13-5-4-12(15(9-13)18(22,23)24)10-25-16(26)8-3-11-1-6-14(7-2-11)27-17(20)21/h1-2,4-7,9,17H,3,8,10H2,(H,25,26)
InChIKeyZAAFJKJAKYGTRU-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 46485685
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 46485625
3-(2,5-dimethoxyphenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55708503
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55705597
3-[4-(difluoromethoxy)phenyl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 86922885
2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705908
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 35556031
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55705982
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705683
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide (CID 78876423) is 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCc1ccc(OC(F)F)cc1)NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is ZAAFJKJAKYGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO2/c19-13-5-4-12(15(9-13)18(22,23)24)10-25-16(26)8-3-11-1-6-14(7-2-11)27-17(20)21/h1-2,4-7,9,17H,3,8,10H2,(H,25,26).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide?
3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 391.31 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 78876423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).