(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C20H18BrFN2O2 — CID 4806848

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2ccc(Br)cc12
InChIInChI=1S/C20H18BrFN2O2/c1-13-15-12-14(21)6-7-18(15)26-19(13)20(25)24-10-8-23(9-11-24)17-5-3-2-4-16(17)22/h2-7,12H,8-11H2,1H3
InChIKeyWXGZWKSTGQLTFU-UHFFFAOYSA-N
MW417.28 g/mol
LogP4.61
Rot. Bonds2

About (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 4806848) has the molecular formula C20H18BrFN2O2 and a molecular weight of 417.28 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID4806848
Molecular FormulaC20H18BrFN2O2
Molecular Weight417.28 g/mol
Exact Mass416.05
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2ccc(Br)cc12
InChIInChI=1S/C20H18BrFN2O2/c1-13-15-12-14(21)6-7-18(15)26-19(13)20(25)24-10-8-23(9-11-24)17-5-3-2-4-16(17)22/h2-7,12H,8-11H2,1H3
InChIKeyWXGZWKSTGQLTFU-UHFFFAOYSA-N
XLogP4.61
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.28
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
5-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 9982854
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)-1,2,3,4-tetrahydroquinoline
CID 888386
5-iodo-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 44393403
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 118722639
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 2444004
N-[4-(4-methylpiperazino)benzyl]-1-benzofuran-2-carboxamide
CID 2738574
5-bromo-3-methyl-N-(3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4319713
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 9119435

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 4806848) is (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is WXGZWKSTGQLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN2O2/c1-13-15-12-14(21)6-7-18(15)26-19(13)20(25)24-10-8-23(9-11-24)17-5-3-2-4-16(17)22/h2-7,12H,8-11H2,1H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 417.28 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4806848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).