3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

C15H9Cl2NO3 — CID 713162

IUPAC3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)COC2=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO3/c16-12-4-1-8(6-13(12)17)14(19)18-10-2-3-11-9(5-10)7-21-15(11)20/h1-6H,7H2,(H,18,19)
InChIKeyVAGWMHLLUOJYAA-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.92
Rot. Bonds2

About 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide

3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (PubChem CID 713162) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
PubChem CID713162
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)COC2=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO3/c16-12-4-1-8(6-13(12)17)14(19)18-10-2-3-11-9(5-10)7-21-15(11)20/h1-6H,7H2,(H,18,19)
InChIKeyVAGWMHLLUOJYAA-UHFFFAOYSA-N
XLogP3.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide (CID 713162) is 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is O=C(Nc1ccc2c(c1)COC2=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
The InChIKey is VAGWMHLLUOJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c16-12-4-1-8(6-13(12)17)14(19)18-10-2-3-11-9(5-10)7-21-15(11)20/h1-6H,7H2,(H,18,19).
What are the key properties of 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide?
3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide has a molecular weight of 322.15 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(1-oxo-3H-2-benzofuran-5-yl)benzamide is sourced from PubChem (CID 713162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).