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

C25H15BrFNO4 — CID 18860663

IUPACN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
SMILESO=C(Cc1coc2ccc(F)cc12)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C25H15BrFNO4/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)
InChIKeyDKBVSZQPDFKPKN-UHFFFAOYSA-N
MW492.30 g/mol
LogP6.49
Rot. Bonds5

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

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide (PubChem CID 18860663) has the molecular formula C25H15BrFNO4 and a molecular weight of 492.30 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
PubChem CID18860663
Molecular FormulaC25H15BrFNO4
Molecular Weight492.30 g/mol
Exact Mass491.02
IUPAC NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
SMILESO=C(Cc1coc2ccc(F)cc12)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C25H15BrFNO4/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)
InChIKeyDKBVSZQPDFKPKN-UHFFFAOYSA-N
XLogP6.49
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.30
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-1-benzofuran-3-yl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860659
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860701
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 18860958
2-(5-tert-butyl-1-benzofuran-3-yl)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]acetamide
CID 18861282
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-(6-methyl-1-benzofuran-3-yl)acetamide
CID 18861651
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860891
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-2-thiophen-3-ylacetamide
CID 139582398
N-(2-benzoyl-1-benzofuran-3-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 18861596
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
CID 4281017
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 N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide (CID 18860663) is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide is O=C(Cc1coc2ccc(F)cc12)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
The InChIKey is DKBVSZQPDFKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrFNO4/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 N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide?
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide has a molecular weight of 492.30 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18860663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).