(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C20H18ClFN2O2 — CID 2097237

IUPAC(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2c(Cl)cccc12
InChIInChI=1S/C20H18ClFN2O2/c1-13-16-3-2-4-17(21)19(16)26-18(13)20(25)24-11-9-23(10-12-24)15-7-5-14(22)6-8-15/h2-8H,9-12H2,1H3
InChIKeyVXIDUOHARNAMDT-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.50
Rot. Bonds2

About (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2097237) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2097237
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2c(Cl)cccc12
InChIInChI=1S/C20H18ClFN2O2/c1-13-16-3-2-4-17(21)19(16)26-18(13)20(25)24-11-9-23(10-12-24)15-7-5-14(22)6-8-15/h2-8H,9-12H2,1H3
InChIKeyVXIDUOHARNAMDT-UHFFFAOYSA-N
XLogP4.50
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 17439317
N-[1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-4-fluorobenzamide
CID 46592936
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 9440318
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 46455033
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51185326
2-[4-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78800961
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537491
[(3R)-3-aminopyrrolidin-1-yl]-(7-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 119410350
(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 5308711
(2,3-dichlorophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87029905
(4-ethylpiperazin-1-yl)-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 42510639

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2097237) is (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2c(Cl)cccc12.
What is the InChIKey of (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is VXIDUOHARNAMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-13-16-3-2-4-17(21)19(16)26-18(13)20(25)24-11-9-23(10-12-24)15-7-5-14(22)6-8-15/h2-8H,9-12H2,1H3.
What are the key properties of (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 372.83 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-methyl-1-benzofuran-2-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2097237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).