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

C15H9ClINO — CID 2688434

IUPAC(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccccc1I
InChIInChI=1S/C15H9ClINO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-8H,(H,18,19)/b12-7-
InChIKeySJXQWWKADUUWKE-GHXNOFRVSA-N
MW381.60 g/mol
LogP4.44
Rot. Bonds1

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

(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one (PubChem CID 2688434) has the molecular formula C15H9ClINO and a molecular weight of 381.60 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one
PubChem CID2688434
Molecular FormulaC15H9ClINO
Molecular Weight381.60 g/mol
Exact Mass380.94
IUPAC Name(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccccc1I
InChIInChI=1S/C15H9ClINO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-8H,(H,18,19)/b12-7-
InChIKeySJXQWWKADUUWKE-GHXNOFRVSA-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-chloro-3-[(2-methylphenyl)methylidene]-1H-indol-2-one
CID 3943244
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
(3E)-5-chloro-3-[(2,4-dichlorophenyl)methylidene]-1H-indol-2-one
CID 6243320
3-[(2,4-dichlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57120788
6-chloro-3-[(5-chloro-2-iodophenyl)methylidene]-1H-indol-2-one
CID 71028321
5-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 3967749
5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 4679336
(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
3-[(2-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57069797
(3E)-3-[(4-bromo-2-fluorophenyl)methylidene]-5-chloro-1H-indol-2-one
CID 7947107
3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 56989643
5-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 3431448

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one (CID 2688434) is (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1ccccc1I.
What is the InChIKey of (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one?
The InChIKey is SJXQWWKADUUWKE-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H9ClINO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-8H,(H,18,19)/b12-7-.
What are the key properties of (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-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 (3Z)-5-chloro-3-[(2-iodophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2688434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).