(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one

C18H11BrClFO3 — CID 127032874

IUPAC(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one
SMILESCOc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(F)cc1
InChIInChI=1S/C18H11BrClFO3/c1-23-14-7-4-11(20)9-13(14)16-15(24-18(22)17(16)19)8-10-2-5-12(21)6-3-10/h2-9H,1H3/b15-8-
InChIKeyHGCPVLSWKQANLP-NVNXTCNLSA-N
MW409.64 g/mol
LogP5.19
Rot. Bonds3

About (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one

(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one (PubChem CID 127032874) has the molecular formula C18H11BrClFO3 and a molecular weight of 409.64 g/mol. Its IUPAC name is (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one
PubChem CID127032874
Molecular FormulaC18H11BrClFO3
Molecular Weight409.64 g/mol
Exact Mass407.96
IUPAC Name(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one
SMILESCOc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(F)cc1
InChIInChI=1S/C18H11BrClFO3/c1-23-14-7-4-11(20)9-13(14)16-15(24-18(22)17(16)19)8-10-2-5-12(21)6-3-10/h2-9H,1H3/b15-8-
InChIKeyHGCPVLSWKQANLP-NVNXTCNLSA-N
XLogP5.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.64
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one (CID 127032874) is (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one is COc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(F)cc1.
What is the InChIKey of (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one?
The InChIKey is HGCPVLSWKQANLP-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H11BrClFO3/c1-23-14-7-4-11(20)9-13(14)16-15(24-18(22)17(16)19)8-10-2-5-12(21)6-3-10/h2-9H,1H3/b15-8-.
What are the key properties of (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one?
(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one has a molecular weight of 409.64 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylidene]furan-2-one is sourced from PubChem (CID 127032874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).