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

C26H17ClFNO4 — CID 18861000

IUPAC2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(Cl)cc23)cc1F
InChIInChI=1S/C26H17ClFNO4/c1-14-6-7-15(10-20(14)28)25(31)26-24(18-4-2-3-5-22(18)33-26)29-23(30)11-16-13-32-21-9-8-17(27)12-19(16)21/h2-10,12-13H,11H2,1H3,(H,29,30)
InChIKeyRMQIZQFTZNZYFB-UHFFFAOYSA-N
MW461.88 g/mol
LogP6.69
Rot. Bonds5

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

2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide (PubChem CID 18861000) has the molecular formula C26H17ClFNO4 and a molecular weight of 461.88 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
PubChem CID18861000
Molecular FormulaC26H17ClFNO4
Molecular Weight461.88 g/mol
Exact Mass461.08
IUPAC Name2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
SMILESCc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(Cl)cc23)cc1F
InChIInChI=1S/C26H17ClFNO4/c1-14-6-7-15(10-20(14)28)25(31)26-24(18-4-2-3-5-22(18)33-26)29-23(30)11-16-13-32-21-9-8-17(27)12-19(16)21/h2-10,12-13H,11H2,1H3,(H,29,30)
InChIKeyRMQIZQFTZNZYFB-UHFFFAOYSA-N
XLogP6.69
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.88
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 18860958
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-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
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
3,6-dichloro-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-1-benzothiophene-2-carboxamide
CID 18848145
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651
(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827099
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861596
3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861171

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide (CID 18861000) is 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide is Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(Cl)cc23)cc1F.
What is the InChIKey of 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
The InChIKey is RMQIZQFTZNZYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFNO4/c1-14-6-7-15(10-20(14)28)25(31)26-24(18-4-2-3-5-22(18)33-26)29-23(30)11-16-13-32-21-9-8-17(27)12-19(16)21/h2-10,12-13H,11H2,1H3,(H,29,30).
What are the key properties of 2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide?
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide has a molecular weight of 461.88 g/mol, XLogP of 6.69, 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-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 18861000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).