2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide

C15H10ClNO3 — CID 738094

IUPAC2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)c1ccccc1Cl
InChIInChI=1S/C15H10ClNO3/c16-13-4-2-1-3-11(13)14(18)17-10-6-5-9-8-20-15(19)12(9)7-10/h1-7H,8H2,(H,17,18)
InChIKeyCCUCUHVISPQOER-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.26
Rot. Bonds2

About 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide

2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide (PubChem CID 738094) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide
PubChem CID738094
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)OC2)c1ccccc1Cl
InChIInChI=1S/C15H10ClNO3/c16-13-4-2-1-3-11(13)14(18)17-10-6-5-9-8-20-15(19)12(9)7-10/h1-7H,8H2,(H,17,18)
InChIKeyCCUCUHVISPQOER-UHFFFAOYSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide (CID 738094) is 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide is O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide?
The InChIKey is CCUCUHVISPQOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-13-4-2-1-3-11(13)14(18)17-10-6-5-9-8-20-15(19)12(9)7-10/h1-7H,8H2,(H,17,18).
What are the key properties of 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide?
2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide has a molecular weight of 287.70 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)benzamide is sourced from PubChem (CID 738094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).