4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one

C21H15Cl2FN2O3 — CID 46832879

IUPAC4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3cc(Cl)ccc3F)c(-c3cccc(Cl)c3)o2)CCN1
InChIInChI=1S/C21H15Cl2FN2O3/c22-13-3-1-2-12(8-13)20-16(15-9-14(23)4-5-17(15)24)10-18(29-20)21(28)26-7-6-25-19(27)11-26/h1-5,8-10H,6-7,11H2,(H,25,27)
InChIKeyYDFZOPRRLMQHON-UHFFFAOYSA-N
MW433.27 g/mol
LogP4.63
Rot. Bonds3

About 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one

4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one (PubChem CID 46832879) has the molecular formula C21H15Cl2FN2O3 and a molecular weight of 433.27 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
PubChem CID46832879
Molecular FormulaC21H15Cl2FN2O3
Molecular Weight433.27 g/mol
Exact Mass432.04
IUPAC Name4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3cc(Cl)ccc3F)c(-c3cccc(Cl)c3)o2)CCN1
InChIInChI=1S/C21H15Cl2FN2O3/c22-13-3-1-2-12(8-13)20-16(15-9-14(23)4-5-17(15)24)10-18(29-20)21(28)26-7-6-25-19(27)11-26/h1-5,8-10H,6-7,11H2,(H,25,27)
InChIKeyYDFZOPRRLMQHON-UHFFFAOYSA-N
XLogP4.63
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
CID 58064791
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
5-[3-(3-chloro-5-fluorophenyl)-5-(4-oxoimidazolidine-1-carbonyl)furan-2-yl]-2-fluorobenzonitrile
CID 58064793
4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
CID 58064799
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
4-(3-bromo-4-fluorobenzoyl)piperazin-2-one
CID 103706381
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
4-(6-fluoropyridine-2-carbonyl)piperazin-2-one
CID 115496615
4-[5-[(3-chlorophenyl)methoxy]-4-oxo-1H-pyridine-2-carbonyl]piperazin-2-one
CID 52903063
4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one
CID 56914150

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one?
The IUPAC name of 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one (CID 46832879) is 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one is O=C1CN(C(=O)c2cc(-c3cc(Cl)ccc3F)c(-c3cccc(Cl)c3)o2)CCN1.
What is the InChIKey of 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one?
The InChIKey is YDFZOPRRLMQHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O3/c22-13-3-1-2-12(8-13)20-16(15-9-14(23)4-5-17(15)24)10-18(29-20)21(28)26-7-6-25-19(27)11-26/h1-5,8-10H,6-7,11H2,(H,25,27).
What are the key properties of 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one?
4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one has a molecular weight of 433.27 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-fluorophenyl)-5-(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 46832879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).