5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide

C21H16N2O5 — CID 47051140

IUPAC5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C21H16N2O5/c22-12-14-3-1-2-4-17(14)27-13-16-6-8-19(28-16)21(24)23-15-5-7-18-20(11-15)26-10-9-25-18/h1-8,11H,9-10,13H2,(H,23,24)
InChIKeyKLCKALNWHDPQFM-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.75
Rot. Bonds5

About 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (PubChem CID 47051140) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
PubChem CID47051140
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C21H16N2O5/c22-12-14-3-1-2-4-17(14)27-13-16-6-8-19(28-16)21(24)23-15-5-7-18-20(11-15)26-10-9-25-18/h1-8,11H,9-10,13H2,(H,23,24)
InChIKeyKLCKALNWHDPQFM-UHFFFAOYSA-N
XLogP3.75
TPSA93.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-chloro-4-nitrophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 19461798
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463254
5-[(2-cyanophenoxy)methyl]-N-(6-methoxy-3-pyridinyl)furan-2-carboxamide
CID 47051131
5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 19452355
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55872708
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
5-[(2-cyanophenoxy)methyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]furan-2-carboxamide
CID 55871417
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
2-(2-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109270464

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (CID 47051140) is 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)o1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The InChIKey is KLCKALNWHDPQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c22-12-14-3-1-2-4-17(14)27-13-16-6-8-19(28-16)21(24)23-15-5-7-18-20(11-15)26-10-9-25-18/h1-8,11H,9-10,13H2,(H,23,24).
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 47051140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).