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

C19H11BrClF3O3 — CID 127033485

IUPAC(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one
SMILESCOc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H11BrClF3O3/c1-26-14-7-6-12(21)9-13(14)16-15(27-18(25)17(16)20)8-10-2-4-11(5-3-10)19(22,23)24/h2-9H,1H3/b15-8-
InChIKeyVLCUVSMEVLZQGQ-NVNXTCNLSA-N
MW459.65 g/mol
LogP6.07
Rot. Bonds3

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

(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one (PubChem CID 127033485) has the molecular formula C19H11BrClF3O3 and a molecular weight of 459.65 g/mol. Its IUPAC name is (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one
PubChem CID127033485
Molecular FormulaC19H11BrClF3O3
Molecular Weight459.65 g/mol
Exact Mass457.95
IUPAC Name(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one
SMILESCOc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H11BrClF3O3/c1-26-14-7-6-12(21)9-13(14)16-15(27-18(25)17(16)20)8-10-2-4-11(5-3-10)19(22,23)24/h2-9H,1H3/b15-8-
InChIKeyVLCUVSMEVLZQGQ-NVNXTCNLSA-N
XLogP6.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.65
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-bromo-4-(4-fluoro-2-methoxyphenyl)furan-2-one
CID 71477972
2-(5-chloro-2-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4593940
(4E)-2-(5-chloro-2-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6529771
2-(5-chloro-2-methoxyphenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one
CID 3913849
3-(5-chloro-2-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-1,2-oxazol-5-one
CID 4998780
(4E)-2-(5-chloro-2-methoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 6520824
2-(5-chloro-2-methoxyphenyl)-4-[(3,4-dichlorophenyl)methylidene]-1,3-oxazol-5-one
CID 4238942
(E)-N-(5-chloro-2-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 8763385
(4E)-2-(5-chloro-2-methoxyphenyl)-4-[(3-chlorophenyl)methylidene]-1,3-oxazol-5-one
CID 96885732
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one
CID 6041246
3-(5-chloro-2-methoxyphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-5-one;methane
CID 160628984
2-(5-chloro-2-methoxyphenyl)-4-[(4-ethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4208145

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The IUPAC name of (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one (CID 127033485) is (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one is COc1ccc(Cl)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one?
The InChIKey is VLCUVSMEVLZQGQ-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H11BrClF3O3/c1-26-14-7-6-12(21)9-13(14)16-15(27-18(25)17(16)20)8-10-2-4-11(5-3-10)19(22,23)24/h2-9H,1H3/b15-8-.
What are the key properties of (5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one?
(5Z)-3-bromo-4-(5-chloro-2-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylidene]furan-2-one has a molecular weight of 459.65 g/mol, XLogP of 6.07, 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-(trifluoromethyl)phenyl]methylidene]furan-2-one is sourced from PubChem (CID 127033485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).