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

C13H10F3NO3 — CID 71985921

IUPACN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1c(F)cccc1OC(F)F)c1ccoc1
InChIInChI=1S/C13H10F3NO3/c14-10-2-1-3-11(20-13(15)16)9(10)6-17-12(18)8-4-5-19-7-8/h1-5,7,13H,6H2,(H,17,18)
InChIKeyNHRSZZHGAWUWAY-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.95
Rot. Bonds5

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

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide (PubChem CID 71985921) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
PubChem CID71985921
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1c(F)cccc1OC(F)F)c1ccoc1
InChIInChI=1S/C13H10F3NO3/c14-10-2-1-3-11(20-13(15)16)9(10)6-17-12(18)8-4-5-19-7-8/h1-5,7,13H,6H2,(H,17,18)
InChIKeyNHRSZZHGAWUWAY-UHFFFAOYSA-N
XLogP2.95
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1H-pyrazole-5-carboxamide
CID 71985919
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(3-hydroxypropyl)urea
CID 111509592
N-[2-(2-fluorophenoxy)butyl]furan-3-carboxamide
CID 71979262
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71985913
N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 42953720
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111540945
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]oxane-3-carboxamide
CID 71985920
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71985912
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111509604
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111498118
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306061

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide (CID 71985921) is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide is O=C(NCc1c(F)cccc1OC(F)F)c1ccoc1.
What is the InChIKey of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide?
The InChIKey is NHRSZZHGAWUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c14-10-2-1-3-11(20-13(15)16)9(10)6-17-12(18)8-4-5-19-7-8/h1-5,7,13H,6H2,(H,17,18).
What are the key properties of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide?
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide has a molecular weight of 285.22 g/mol, XLogP of 2.95, 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]furan-3-carboxamide is sourced from PubChem (CID 71985921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).