(2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide

C16H11NO3 — CID 90644832

IUPAC(2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C16H11NO3/c17-16(19)12-8-4-7-11-14(18)13(20-15(11)12)9-10-5-2-1-3-6-10/h1-9H,(H2,17,19)/b13-9-
InChIKeyBFDGEDXDDHLCNG-LCYFTJDESA-N
MW265.27 g/mol
LogP2.40
Rot. Bonds2

About (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide

(2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide (PubChem CID 90644832) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide
PubChem CID90644832
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name(2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1ccccc1)C2=O
InChIInChI=1S/C16H11NO3/c17-16(19)12-8-4-7-11-14(18)13(20-15(11)12)9-10-5-2-1-3-6-10/h1-9H,(H2,17,19)/b13-9-
InChIKeyBFDGEDXDDHLCNG-LCYFTJDESA-N
XLogP2.40
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide?
The IUPAC name of (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide (CID 90644832) is (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide?
The canonical SMILES for (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide is NC(=O)c1cccc2c1O/C(=C\c1ccccc1)C2=O.
What is the InChIKey of (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide?
The InChIKey is BFDGEDXDDHLCNG-LCYFTJDESA-N. The full InChI is InChI=1S/C16H11NO3/c17-16(19)12-8-4-7-11-14(18)13(20-15(11)12)9-10-5-2-1-3-6-10/h1-9H,(H2,17,19)/b13-9-.
What are the key properties of (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide?
(2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-3-oxo-1-benzofuran-7-carboxamide is sourced from PubChem (CID 90644832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).