3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one

C15H9ClINO — CID 56989643

IUPAC3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H9ClINO/c16-10-3-1-9(2-4-10)7-13-12-8-11(17)5-6-14(12)18-15(13)19/h1-8H,(H,18,19)
InChIKeyCIGBZOYMXLGKEP-UHFFFAOYSA-N
MW381.60 g/mol
LogP4.44
Rot. Bonds1

About 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one

3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one (PubChem CID 56989643) has the molecular formula C15H9ClINO and a molecular weight of 381.60 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
PubChem CID56989643
Molecular FormulaC15H9ClINO
Molecular Weight381.60 g/mol
Exact Mass380.94
IUPAC Name3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H9ClINO/c16-10-3-1-9(2-4-10)7-13-12-8-11(17)5-6-14(12)18-15(13)19/h1-8H,(H,18,19)
InChIKeyCIGBZOYMXLGKEP-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.60
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
5-iodo-3-(pyridin-4-ylmethylidene)-1H-indol-2-one
CID 57038442
3-[(2,4-dichlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57120788
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3Z)-3-[(4-chlorophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 134104720
5-(2-chloroethyl)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 57299624
3-[(3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57236339
3-[(4-tert-butylphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4605716
3-[(4-ethoxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57187568
4-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzonitrile
CID 2338594
5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
CID 57139698
3-[(4-bromo-3,5-dihydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 4115418

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one (CID 56989643) is 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one is O=C1Nc2ccc(I)cc2C1=Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one?
The InChIKey is CIGBZOYMXLGKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClINO/c16-10-3-1-9(2-4-10)7-13-12-8-11(17)5-6-14(12)18-15(13)19/h1-8H,(H,18,19).
What are the key properties of 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one?
3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one has a molecular weight of 381.60 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one is sourced from PubChem (CID 56989643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).