(3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one

C15H8ClF2NO2 — CID 118714386

IUPAC(3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H8ClF2NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3+
InChIKeyUSZFBHLYXCBKCZ-XCVCLJGOSA-N
MW307.68 g/mol
LogP3.82
Rot. Bonds1

About (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one

(3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 118714386) has the molecular formula C15H8ClF2NO2 and a molecular weight of 307.68 g/mol. Its IUPAC name is (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID118714386
Molecular FormulaC15H8ClF2NO2
Molecular Weight307.68 g/mol
Exact Mass307.02
IUPAC Name(3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1cc(F)c(O)c(F)c1
InChIInChI=1S/C15H8ClF2NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3+
InChIKeyUSZFBHLYXCBKCZ-XCVCLJGOSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-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

(E)-3-(4-hydroxybenzylidene)indolin-2-one
CID 10561847
(Z)-3-(3-hydroxybenzylidene)indolin-2-one
CID 2077962
3-(4-Hydroxybenzylidenyl)indolin-2-one
CID 5874584
5-Chloro-3-(3,5-dibromo-4-hydroxybenzylidene)indolin-2-one
CID 25014542
3-(3,5-Dichloro-4-hydroxybenzylidene)-5-phenylindolin-2-one
CID 44312254
5-Chloro-3,3-bis(4-hydroxyphenyl)indolin-2-one
CID 44438725
(3E)-5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 2410620
(E)-N-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 71560029
(3E)-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710615
(3E)-3-[(3-bromo-4-hydroxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 118714395
3-[(4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 3610132
(3Z)-3-[(2-hydroxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 6510285

Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 118714386) is (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C\c1cc(F)c(O)c(F)c1.
What is the InChIKey of (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is USZFBHLYXCBKCZ-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H8ClF2NO2/c16-8-1-2-13-9(6-8)10(15(21)19-13)3-7-4-11(17)14(20)12(18)5-7/h1-6,20H,(H,19,21)/b10-3+.
What are the key properties of (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 307.68 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 118714386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).