(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone

C21H18Cl2N2O4 — CID 78892364

IUPAC(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)oc12
InChIInChI=1S/C21H18Cl2N2O4/c1-28-16-7-2-4-13-12-17(29-19(13)16)21(27)25-10-8-24(9-11-25)20(26)14-5-3-6-15(22)18(14)23/h2-7,12H,8-11H2,1H3
InChIKeyNUVIZOZHNGEUMQ-UHFFFAOYSA-N
MW433.29 g/mol
LogP4.35
Rot. Bonds3

About (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 78892364) has the molecular formula C21H18Cl2N2O4 and a molecular weight of 433.29 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
PubChem CID78892364
Molecular FormulaC21H18Cl2N2O4
Molecular Weight433.29 g/mol
Exact Mass432.06
IUPAC Name(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)oc12
InChIInChI=1S/C21H18Cl2N2O4/c1-28-16-7-2-4-13-12-17(29-19(13)16)21(27)25-10-8-24(9-11-25)20(26)14-5-3-6-15(22)18(14)23/h2-7,12H,8-11H2,1H3
InChIKeyNUVIZOZHNGEUMQ-UHFFFAOYSA-N
XLogP4.35
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 6472790
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
(7-methoxy-1-benzofuran-2-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332265
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 78868151
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 78867327
(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126808733
(3S)-1-(7-methoxy-1-benzofuran-2-carbonyl)piperidine-3-carboxylic acid
CID 99639026
(7-methoxy-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616208
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone (CID 78892364) is (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone is COc1cccc2cc(C(=O)N3CCN(C(=O)c4cccc(Cl)c4Cl)CC3)oc12.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is NUVIZOZHNGEUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4/c1-28-16-7-2-4-13-12-17(29-19(13)16)21(27)25-10-8-24(9-11-25)20(26)14-5-3-6-15(22)18(14)23/h2-7,12H,8-11H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 433.29 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 78892364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).