4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one

C20H16F2N2O3 — CID 45209394

IUPAC4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESCc1c(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)oc2c(F)cccc12
InChIInChI=1S/C20H16F2N2O3/c1-11-14-3-2-4-15(22)18(14)27-17(11)20(26)24-10-9-23-19(25)16(24)12-5-7-13(21)8-6-12/h2-8,16H,9-10H2,1H3,(H,23,25)
InChIKeyXLIPNYRNYOMPJE-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.33
Rot. Bonds2

About 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one

4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 45209394) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
PubChem CID45209394
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESCc1c(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)oc2c(F)cccc12
InChIInChI=1S/C20H16F2N2O3/c1-11-14-3-2-4-15(22)18(14)27-17(11)20(26)24-10-9-23-19(25)16(24)12-5-7-13(21)8-6-12/h2-8,16H,9-10H2,1H3,(H,23,25)
InChIKeyXLIPNYRNYOMPJE-UHFFFAOYSA-N
XLogP3.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one (CID 45209394) is 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one is Cc1c(C(=O)N2CCNC(=O)C2c2ccc(F)cc2)oc2c(F)cccc12.
What is the InChIKey of 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is XLIPNYRNYOMPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c1-11-14-3-2-4-15(22)18(14)27-17(11)20(26)24-10-9-23-19(25)16(24)12-5-7-13(21)8-6-12/h2-8,16H,9-10H2,1H3,(H,23,25).
What are the key properties of 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one?
4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 370.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 45209394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).