6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide

C16H11NO4 — CID 56708499

IUPAC6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1cc2c(cc1-c1cc3ccccc3o1)OCO2
InChIInChI=1S/C16H11NO4/c17-16(18)11-7-15-14(19-8-20-15)6-10(11)13-5-9-3-1-2-4-12(9)21-13/h1-7H,8H2,(H2,17,18)
InChIKeyNGULEQPRDIVUKC-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.93
Rot. Bonds2

About 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide

6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 56708499) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID56708499
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESNC(=O)c1cc2c(cc1-c1cc3ccccc3o1)OCO2
InChIInChI=1S/C16H11NO4/c17-16(18)11-7-15-14(19-8-20-15)6-10(11)13-5-9-3-1-2-4-12(9)21-13/h1-7H,8H2,(H2,17,18)
InChIKeyNGULEQPRDIVUKC-UHFFFAOYSA-N
XLogP2.93
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-oxochromen-3-yl)benzamide
CID 91688734
5-(1-benzofuran-2-yl)furan-2-carboxamide
CID 90769310
1-(1-benzofuran-2-yl)-2-(7,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquinolin-5-ylidene)ethanone
CID 71963942
3,5-dichloro-2-(2-oxochromen-3-yl)benzamide
CID 91688749
N'-(1,3-benzodioxole-5-carbonyl)-2-oxochromene-3-carbohydrazide
CID 4686766
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
N-(1,3-benzodioxol-5-ylmethyl)-2-oxochromene-3-carboxamide
CID 775794
(3-carbamoylchromen-2-ylidene)azanium perchlorate
CID 12862916
2-(1,3-benzodioxol-5-ylmethylamino)-1-(1-benzofuran-2-yl)ethanone
CID 110824311
6-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 56883124
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 2649687

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide (CID 56708499) is 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide is NC(=O)c1cc2c(cc1-c1cc3ccccc3o1)OCO2.
What is the InChIKey of 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is NGULEQPRDIVUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c17-16(18)11-7-15-14(19-8-20-15)6-10(11)13-5-9-3-1-2-4-12(9)21-13/h1-7H,8H2,(H2,17,18).
What are the key properties of 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide?
6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 56708499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).