4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one

C21H16Cl2N2O3 — CID 58064791

IUPAC4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)o2)CCN1
InChIInChI=1S/C21H16Cl2N2O3/c22-15-5-1-3-13(9-15)17-11-18(21(27)25-8-7-24-19(26)12-25)28-20(17)14-4-2-6-16(23)10-14/h1-6,9-11H,7-8,12H2,(H,24,26)
InChIKeyWPHDDERNRQBIDP-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.49
Rot. Bonds3

About 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one

4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one (PubChem CID 58064791) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
PubChem CID58064791
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC Name4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)o2)CCN1
InChIInChI=1S/C21H16Cl2N2O3/c22-15-5-1-3-13(9-15)17-11-18(21(27)25-8-7-24-19(26)12-25)28-20(17)14-4-2-6-16(23)10-14/h1-6,9-11H,7-8,12H2,(H,24,26)
InChIKeyWPHDDERNRQBIDP-UHFFFAOYSA-N
XLogP4.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
CID 46832879
4-[5-(4-fluorophenyl)-4-phenylfuran-2-carbonyl]piperazin-2-one
CID 46832587
4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 37338263
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
CID 58064799
5-[3-(3-chloro-5-fluorophenyl)-5-(4-oxoimidazolidine-1-carbonyl)furan-2-yl]-2-fluorobenzonitrile
CID 58064793
4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one
CID 52903063
3-(3-oxopiperazine-1-carbonyl)benzaldehyde
CID 90105088
4-(3-iodobenzoyl)piperazin-2-one
CID 10381947
4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one
CID 170715914
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628
4-[2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetyl]piperazin-2-one
CID 52625077

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one (CID 58064791) is 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2cc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)o2)CCN1.
What is the InChIKey of 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one?
The InChIKey is WPHDDERNRQBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c22-15-5-1-3-13(9-15)17-11-18(21(27)25-8-7-24-19(26)12-25)28-20(17)14-4-2-6-16(23)10-14/h1-6,9-11H,7-8,12H2,(H,24,26).
What are the key properties of 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one?
4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one has a molecular weight of 415.28 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 58064791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).