5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide

C23H17F2N3O4S — CID 11648456

IUPAC5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESCOc1ccc(N2C(=O)CS/C2=N/NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)cc1
InChIInChI=1S/C23H17F2N3O4S/c1-32-16-6-4-15(5-7-16)28-21(30)12-33-23(28)27-26-22(31)18-10-13(2-9-20(18)29)17-8-3-14(24)11-19(17)25/h2-11,29H,12H2,1H3,(H,26,31)/b27-23+
InChIKeyNNIWMAZTJMKODK-SLEBQGDGSA-N
MW469.47 g/mol
LogP4.13
Rot. Bonds5

About 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide

5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide (PubChem CID 11648456) has the molecular formula C23H17F2N3O4S and a molecular weight of 469.47 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
PubChem CID11648456
Molecular FormulaC23H17F2N3O4S
Molecular Weight469.47 g/mol
Exact Mass469.09
IUPAC Name5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
SMILESCOc1ccc(N2C(=O)CS/C2=N/NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)cc1
InChIInChI=1S/C23H17F2N3O4S/c1-32-16-6-4-15(5-7-16)28-21(30)12-33-23(28)27-26-22(31)18-10-13(2-9-20(18)29)17-8-3-14(24)11-19(17)25/h2-11,29H,12H2,1H3,(H,26,31)/b27-23+
InChIKeyNNIWMAZTJMKODK-SLEBQGDGSA-N
XLogP4.13
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-difluorophenyl)-2-hydroxy-N-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]benzamide
CID 15956002
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2140708
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 86304886
5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione
CID 159345589
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 5-(2,4-difluorophenyl)-2-hydroxybenzoate
CID 89023111
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
2-[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 1359152
3-(3-fluorophenyl)-2-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135684996
5-fluoro-2-hydroxy-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135959958
1-[[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]amino]-3-ethylthiourea
CID 11602754
N-(3-chloro-4-fluorophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 175663537
4-(2,4-difluorophenyl)-2-methylphenol
CID 53218882

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide (CID 11648456) is 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide is COc1ccc(N2C(=O)CS/C2=N/NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)cc1.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
The InChIKey is NNIWMAZTJMKODK-SLEBQGDGSA-N. The full InChI is InChI=1S/C23H17F2N3O4S/c1-32-16-6-4-15(5-7-16)28-21(30)12-33-23(28)27-26-22(31)18-10-13(2-9-20(18)29)17-8-3-14(24)11-19(17)25/h2-11,29H,12H2,1H3,(H,26,31)/b27-23+.
What are the key properties of 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide?
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide has a molecular weight of 469.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide is sourced from PubChem (CID 11648456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).