5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one

C15H9ClFNO — CID 3252421

IUPAC5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1cccc(F)c1
InChIInChI=1S/C15H9ClFNO/c16-10-4-5-14-12(8-10)13(15(19)18-14)7-9-2-1-3-11(17)6-9/h1-8H,(H,18,19)
InChIKeyWSSLDALRZFJOJZ-UHFFFAOYSA-N
MW273.69 g/mol
LogP3.97
Rot. Bonds1

About 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one

5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one (PubChem CID 3252421) has the molecular formula C15H9ClFNO and a molecular weight of 273.69 g/mol. Its IUPAC name is 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
PubChem CID3252421
Molecular FormulaC15H9ClFNO
Molecular Weight273.69 g/mol
Exact Mass273.04
IUPAC Name5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1cccc(F)c1
InChIInChI=1S/C15H9ClFNO/c16-10-4-5-14-12(8-10)13(15(19)18-14)7-9-2-1-3-11(17)6-9/h1-8H,(H,18,19)
InChIKeyWSSLDALRZFJOJZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 112979206
(3E)-5-chloro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245718
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
3-[(4-tert-butylphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4605716
5-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 3431448
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
3-[(3-chlorophenyl)methylidene]-5-diethylphosphoryl-1H-indol-2-one
CID 72510094
5-chloro-3-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1H-indol-2-one
CID 5027354
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one (CID 3252421) is 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1=Cc1cccc(F)c1.
What is the InChIKey of 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is WSSLDALRZFJOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO/c16-10-4-5-14-12(8-10)13(15(19)18-14)7-9-2-1-3-11(17)6-9/h1-8H,(H,18,19).
What are the key properties of 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one?
5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 273.69 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 3252421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).