5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H14F3NO5 — CID 19463886

IUPAC5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C20H14F3NO5/c21-20(22,23)14-3-1-2-4-15(14)24-19(25)17-8-6-13(29-17)10-26-12-5-7-16-18(9-12)28-11-27-16/h1-9H,10-11H2,(H,24,25)
InChIKeyWBGUESTWQKFPPU-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.86
Rot. Bonds5

About 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide

5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 19463886) has the molecular formula C20H14F3NO5 and a molecular weight of 405.33 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID19463886
Molecular FormulaC20H14F3NO5
Molecular Weight405.33 g/mol
Exact Mass405.08
IUPAC Name5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C20H14F3NO5/c21-20(22,23)14-3-1-2-4-15(14)24-19(25)17-8-6-13(29-17)10-26-12-5-7-16-18(9-12)28-11-27-16/h1-9H,10-11H2,(H,24,25)
InChIKeyWBGUESTWQKFPPU-UHFFFAOYSA-N
XLogP4.86
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19460989
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19465619
methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448946
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 19463936
5-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 19465699
N-(6-acetyl-1,3-benzodioxol-5-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31483302
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 19463925
5-(1,3-benzodioxol-5-yloxymethyl)-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19463891
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 2456782
5-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19465664
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 19463886) is 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2ccc3c(c2)OCO3)o1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is WBGUESTWQKFPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO5/c21-20(22,23)14-3-1-2-4-15(14)24-19(25)17-8-6-13(29-17)10-26-12-5-7-16-18(9-12)28-11-27-16/h1-9H,10-11H2,(H,24,25).
What are the key properties of 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19463886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).