4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one

C16H11BrClNO2 — CID 56642280

IUPAC4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one
SMILESO=C1OCC(Nc2cccc(Cl)c2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClNO2/c17-11-6-4-10(5-7-11)15-14(9-21-16(15)20)19-13-3-1-2-12(18)8-13/h1-8,19H,9H2
InChIKeyUFDDMUUDAVWSKH-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.48
Rot. Bonds3

About 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one

4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one (PubChem CID 56642280) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one
PubChem CID56642280
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one
SMILESO=C1OCC(Nc2cccc(Cl)c2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClNO2/c17-11-6-4-10(5-7-11)15-14(9-21-16(15)20)19-13-3-1-2-12(18)8-13/h1-8,19H,9H2
InChIKeyUFDDMUUDAVWSKH-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one?
The IUPAC name of 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one (CID 56642280) is 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one?
The canonical SMILES for 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one is O=C1OCC(Nc2cccc(Cl)c2)=C1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one?
The InChIKey is UFDDMUUDAVWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c17-11-6-4-10(5-7-11)15-14(9-21-16(15)20)19-13-3-1-2-12(18)8-13/h1-8,19H,9H2.
What are the key properties of 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one?
4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one has a molecular weight of 364.63 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one is sourced from PubChem (CID 56642280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).