N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide

C17H13NO4 — CID 110703196

IUPACN-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccccc2c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H13NO4/c1-10-16(12-4-2-3-5-13(12)22-10)17(19)18-11-6-7-14-15(8-11)21-9-20-14/h2-8H,9H2,1H3,(H,18,19)
InChIKeyZPYUPSJMNBXQHZ-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.72
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide

N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 110703196) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide
PubChem CID110703196
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccccc2c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H13NO4/c1-10-16(12-4-2-3-5-13(12)22-10)17(19)18-11-6-7-14-15(8-11)21-9-20-14/h2-8H,9H2,1H3,(H,18,19)
InChIKeyZPYUPSJMNBXQHZ-UHFFFAOYSA-N
XLogP3.72
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(1,3-benzodioxol-5-yl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7205124
N-(4-carbamoylphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703184
N-(1,3-benzodioxol-5-yl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191613
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16818279
N-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681249
3-[[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 16814881
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide (CID 110703196) is N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccccc2c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is ZPYUPSJMNBXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-10-16(12-4-2-3-5-13(12)22-10)17(19)18-11-6-7-14-15(8-11)21-9-20-14/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 110703196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).