[4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C20H19ClN2O4 — CID 24816679

IUPAC[4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(Cl)c2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)c2c1
InChIInChI=1S/C20H19ClN2O4/c1-12-10-14-13(2)17(27-18(14)15(21)11-12)20(25)23-7-5-22(6-8-23)19(24)16-4-3-9-26-16/h3-4,9-11H,5-8H2,1-2H3
InChIKeyXFCFHPTXRQRSOI-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.89
Rot. Bonds2

About [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 24816679) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID24816679
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name[4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(Cl)c2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)c2c1
InChIInChI=1S/C20H19ClN2O4/c1-12-10-14-13(2)17(27-18(14)15(21)11-12)20(25)23-7-5-22(6-8-23)19(24)16-4-3-9-26-16/h3-4,9-11H,5-8H2,1-2H3
InChIKeyXFCFHPTXRQRSOI-UHFFFAOYSA-N
XLogP3.89
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 24816679) is [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(Cl)c2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)c2c1.
What is the InChIKey of [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XFCFHPTXRQRSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12-10-14-13(2)17(27-18(14)15(21)11-12)20(25)23-7-5-22(6-8-23)19(24)16-4-3-9-26-16/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 386.84 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chloro-3,5-dimethyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 24816679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).