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

C13H11NO4 — CID 732534

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C13H11NO4/c15-13(11-2-1-5-16-11)14-9-3-4-10-12(8-9)18-7-6-17-10/h1-5,8H,6-7H2,(H,14,15)
InChIKeyWVNHEHPXYNUDGI-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.30
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (PubChem CID 732534) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
PubChem CID732534
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C13H11NO4/c15-13(11-2-1-5-16-11)14-9-3-4-10-12(8-9)18-7-6-17-10/h1-5,8H,6-7H2,(H,14,15)
InChIKeyWVNHEHPXYNUDGI-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-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
CID 531893
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide
CID 775160
N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]furan-2-carboxamide
CID 2795636
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide
CID 734541
Cambridge id 5798025
CID 744285
Methyl [4-(2-furoylamino)phenoxy]acetate
CID 892442
N-(3,4-dimethoxyphenyl)-N'-(2-furylmethyl)urea
CID 970043
Propanoic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester
CID 1250934

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide (CID 732534) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccco1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
The InChIKey is WVNHEHPXYNUDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-13(11-2-1-5-16-11)14-9-3-4-10-12(8-9)18-7-6-17-10/h1-5,8H,6-7H2,(H,14,15).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-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-2-carboxamide is sourced from PubChem (CID 732534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).