2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide

C25H15Cl2NO4 — CID 18860958

IUPAC2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
SMILESO=C(Cc1coc2ccc(Cl)cc12)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C25H15Cl2NO4/c26-16-7-5-14(6-8-16)24(30)25-23(18-3-1-2-4-21(18)32-25)28-22(29)11-15-13-31-20-10-9-17(27)12-19(15)20/h1-10,12-13H,11H2,(H,28,29)
InChIKeyUHIXMJFLPXFEPV-UHFFFAOYSA-N
MW464.30 g/mol
LogP6.90
Rot. Bonds5

About 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide

2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 18860958) has the molecular formula C25H15Cl2NO4 and a molecular weight of 464.30 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID18860958
Molecular FormulaC25H15Cl2NO4
Molecular Weight464.30 g/mol
Exact Mass463.04
IUPAC Name2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
SMILESO=C(Cc1coc2ccc(Cl)cc12)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C25H15Cl2NO4/c26-16-7-5-14(6-8-16)24(30)25-23(18-3-1-2-4-21(18)32-25)28-22(29)11-15-13-31-20-10-9-17(27)12-19(15)20/h1-10,12-13H,11H2,(H,28,29)
InChIKeyUHIXMJFLPXFEPV-UHFFFAOYSA-N
XLogP6.90
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.30
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861000
N-(2-benzoyl-1-benzofuran-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860663
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861282
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860891
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860701
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970
2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide
CID 18860319
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide (CID 18860958) is 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide is O=C(Cc1coc2ccc(Cl)cc12)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is UHIXMJFLPXFEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2NO4/c26-16-7-5-14(6-8-16)24(30)25-23(18-3-1-2-4-21(18)32-25)28-22(29)11-15-13-31-20-10-9-17(27)12-19(15)20/h1-10,12-13H,11H2,(H,28,29).
What are the key properties of 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide?
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 464.30 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 18860958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).