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

C15H9Cl2NO3 — CID 599573

IUPAC2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2NO3/c16-9-2-4-11(13(17)5-9)14(19)18-10-3-1-8-7-21-15(20)12(8)6-10/h1-6H,7H2,(H,18,19)
InChIKeyPARYYGDXNINZLY-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.92
Rot. Bonds2

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

2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide (PubChem CID 599573) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide
PubChem CID599573
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2NO3/c16-9-2-4-11(13(17)5-9)14(19)18-10-3-1-8-7-21-15(20)12(8)6-10/h1-6H,7H2,(H,18,19)
InChIKeyPARYYGDXNINZLY-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 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide (CID 599573) is 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide?
The InChIKey is PARYYGDXNINZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c16-9-2-4-11(13(17)5-9)14(19)18-10-3-1-8-7-21-15(20)12(8)6-10/h1-6H,7H2,(H,18,19).
What are the key properties of 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide?
2,4-dichloro-N-(3-oxo-1H-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 2,4-dichloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide is sourced from PubChem (CID 599573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).