N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide

C13H11NO4 — CID 2815845

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccoc1
InChIInChI=1S/C13H11NO4/c15-13(9-3-4-16-8-9)14-10-1-2-11-12(7-10)18-6-5-17-11/h1-4,7-8H,5-6H2,(H,14,15)
InChIKeyVRFNKUOQTCPCDD-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.30
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide (PubChem CID 2815845) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide
PubChem CID2815845
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccoc1
InChIInChI=1S/C13H11NO4/c15-13(9-3-4-16-8-9)14-10-1-2-11-12(7-10)18-6-5-17-11/h1-4,7-8H,5-6H2,(H,14,15)
InChIKeyVRFNKUOQTCPCDD-UHFFFAOYSA-N
XLogP2.30
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 2162339
5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide
CID 649803
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxybenzamide
CID 652336
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamide
CID 701527
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide
CID 726075
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-3-phenylpropanamide
CID 723219
N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 732534
N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide
CID 785847
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furamide
CID 887918
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide
CID 2395074

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide (CID 2815845) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccoc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide?
The InChIKey is VRFNKUOQTCPCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-13(9-3-4-16-8-9)14-10-1-2-11-12(7-10)18-6-5-17-11/h1-4,7-8H,5-6H2,(H,14,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide has a molecular weight of 245.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide is sourced from PubChem (CID 2815845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).