N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide

C22H14ClNO3 — CID 4076638

IUPACN-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide
SMILESO=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClNO3/c23-16-12-10-15(11-13-16)22(26)24-19-17-8-4-5-9-18(17)27-21(19)20(25)14-6-2-1-3-7-14/h1-13H,(H,24,26)
InChIKeyJTWSUMLPUMJKBP-UHFFFAOYSA-N
MW375.81 g/mol
LogP5.57
Rot. Bonds4

About N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide

N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide (PubChem CID 4076638) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide
PubChem CID4076638
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC NameN-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide
SMILESO=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C22H14ClNO3/c23-16-12-10-15(11-13-16)22(26)24-19-17-8-4-5-9-18(17)27-21(19)20(25)14-6-2-1-3-7-14/h1-13H,(H,24,26)
InChIKeyJTWSUMLPUMJKBP-UHFFFAOYSA-N
XLogP5.57
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide?
The IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide (CID 4076638) is N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide?
The canonical SMILES for N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide is O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide?
The InChIKey is JTWSUMLPUMJKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-16-12-10-15(11-13-16)22(26)24-19-17-8-4-5-9-18(17)27-21(19)20(25)14-6-2-1-3-7-14/h1-13H,(H,24,26).
What are the key properties of N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide?
N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide has a molecular weight of 375.81 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-1-benzofuran-3-yl)-4-chlorobenzamide is sourced from PubChem (CID 4076638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).