(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one

C19H18FNO2 — CID 22500239

IUPAC(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(/C=C2/C(=O)Nc3ccc(F)cc32)cc1C(C)C
InChIInChI=1S/C19H18FNO2/c1-11(2)14-8-12(4-7-18(14)23-3)9-16-15-10-13(20)5-6-17(15)21-19(16)22/h4-11H,1-3H3,(H,21,22)/b16-9+
InChIKeySTQMFWFTSRASDP-CXUHLZMHSA-N
MW311.36 g/mol
LogP4.45
Rot. Bonds3

About (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one

(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one (PubChem CID 22500239) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
PubChem CID22500239
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(/C=C2/C(=O)Nc3ccc(F)cc32)cc1C(C)C
InChIInChI=1S/C19H18FNO2/c1-11(2)14-8-12(4-7-18(14)23-3)9-16-15-10-13(20)5-6-17(15)21-19(16)22/h4-11H,1-3H3,(H,21,22)/b16-9+
InChIKeySTQMFWFTSRASDP-CXUHLZMHSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
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-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)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

5-fluoro-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 54391150
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
(3E)-5-fluoro-3-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 112979100
5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1,2-dihydroindole
CID 70299435
6-fluoro-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66985431
5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;hydrochloride
CID 142651458
(3E)-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-5-methyl-1H-indol-2-one
CID 22500209
(3E)-5-methoxy-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 22500303
(3E)-3-[(5-fluoro-2-methoxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 112979164
5-iodo-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-1H-indol-2-one
CID 57066860
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one (CID 22500239) is (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one is COc1ccc(/C=C2/C(=O)Nc3ccc(F)cc32)cc1C(C)C.
What is the InChIKey of (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is STQMFWFTSRASDP-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-11(2)14-8-12(4-7-18(14)23-3)9-16-15-10-13(20)5-6-17(15)21-19(16)22/h4-11H,1-3H3,(H,21,22)/b16-9+.
What are the key properties of (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 311.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 22500239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).