N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide

C14H16F3NO3 — CID 71985920

IUPACN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide
SMILESO=C(NCc1c(F)cccc1OC(F)F)C1CCCOC1
InChIInChI=1S/C14H16F3NO3/c15-11-4-1-5-12(21-14(16)17)10(11)7-18-13(19)9-3-2-6-20-8-9/h1,4-5,9,14H,2-3,6-8H2,(H,18,19)
InChIKeyWWZHBSSQGBAPOX-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.47
Rot. Bonds5

About N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide (PubChem CID 71985920) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide
PubChem CID71985920
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide
SMILESO=C(NCc1c(F)cccc1OC(F)F)C1CCCOC1
InChIInChI=1S/C14H16F3NO3/c15-11-4-1-5-12(21-14(16)17)10(11)7-18-13(19)9-3-2-6-20-8-9/h1,4-5,9,14H,2-3,6-8H2,(H,18,19)
InChIKeyWWZHBSSQGBAPOX-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71985912
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540945
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111498118
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
CID 71985921
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(3-hydroxypropyl)urea
CID 111509592
(3R)-N-[(2S)-2-(2-fluorophenoxy)butyl]oxolane-3-carboxamide
CID 95972631
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1H-pyrazole-5-carboxamide
CID 71985919
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111509604
1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine
CID 111714269

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide (CID 71985920) is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide is O=C(NCc1c(F)cccc1OC(F)F)C1CCCOC1.
What is the InChIKey of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide?
The InChIKey is WWZHBSSQGBAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c15-11-4-1-5-12(21-14(16)17)10(11)7-18-13(19)9-3-2-6-20-8-9/h1,4-5,9,14H,2-3,6-8H2,(H,18,19).
What are the key properties of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide?
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 71985920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).