(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid

C16H10FNO3 — CID 112979206

IUPAC(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid
SMILESO=C1Nc2ccc(C(=O)O)cc2/C1=C\c1cccc(F)c1
InChIInChI=1S/C16H10FNO3/c17-11-3-1-2-9(6-11)7-13-12-8-10(16(20)21)4-5-14(12)18-15(13)19/h1-8H,(H,18,19)(H,20,21)/b13-7+
InChIKeyASLJCSFOFGXLIC-NTUHNPAUSA-N
MW283.26 g/mol
LogP3.02
Rot. Bonds2

About (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid

(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid (PubChem CID 112979206) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid
PubChem CID112979206
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid
SMILESO=C1Nc2ccc(C(=O)O)cc2/C1=C\c1cccc(F)c1
InChIInChI=1S/C16H10FNO3/c17-11-3-1-2-9(6-11)7-13-12-8-10(16(20)21)4-5-14(12)18-15(13)19/h1-8H,(H,18,19)(H,20,21)/b13-7+
InChIKeyASLJCSFOFGXLIC-NTUHNPAUSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.02
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'}

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Related Compounds

5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
CID 3252421
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090
5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 4569324
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-(2,2,2-trifluoroacetyl)-1H-indol-2-one
CID 72608342
(3E)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-carboxylic acid
CID 177410652
5-benzoyl-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 54393078
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
3-[(3,5-dibromo-4-methylphenyl)methylidene]-5-(2,2,2-trifluoroacetyl)-1H-indol-2-one
CID 72608344
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid?
The IUPAC name of (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid (CID 112979206) is (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid.
What is the SMILES notation for (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid?
The canonical SMILES for (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid is O=C1Nc2ccc(C(=O)O)cc2/C1=C\c1cccc(F)c1.
What is the InChIKey of (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid?
The InChIKey is ASLJCSFOFGXLIC-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-11-3-1-2-9(6-11)7-13-12-8-10(16(20)21)4-5-14(12)18-15(13)19/h1-8H,(H,18,19)(H,20,21)/b13-7+.
What are the key properties of (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid?
(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid has a molecular weight of 283.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid is sourced from PubChem (CID 112979206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).