N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

C23H16N2O5 — CID 2649687

IUPACN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C23H16N2O5/c26-22(24-15-9-10-19-20(12-15)29-13-28-19)16-6-2-3-7-17(16)25-23(27)21-11-14-5-1-4-8-18(14)30-21/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyYVEWWRQEHCHCDI-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.67
Rot. Bonds4

About N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2649687) has the molecular formula C23H16N2O5 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID2649687
Molecular FormulaC23H16N2O5
Molecular Weight400.39 g/mol
Exact Mass400.11
IUPAC NameN-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1
InChIInChI=1S/C23H16N2O5/c26-22(24-15-9-10-19-20(12-15)29-13-28-19)16-6-2-3-7-17(16)25-23(27)21-11-14-5-1-4-8-18(14)30-21/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyYVEWWRQEHCHCDI-UHFFFAOYSA-N
XLogP4.67
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 38869713
N-[2-(cyclopentylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 17442222
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 30093549
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100819
dimethyl (E)-2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]but-2-enedioate
CID 168569415

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 2649687) is N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is YVEWWRQEHCHCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O5/c26-22(24-15-9-10-19-20(12-15)29-13-28-19)16-6-2-3-7-17(16)25-23(27)21-11-14-5-1-4-8-18(14)30-21/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2649687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).