5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one

C20H14ClN3O — CID 137199823

IUPAC5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClN3O/c21-14-11-12-18-17(13-14)19(20(25)22-18)23-24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,22,23,25)
InChIKeyZRAKIYKWIWZNJS-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.83
Rot. Bonds3

About 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one

5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one (PubChem CID 137199823) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one
PubChem CID137199823
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClN3O/c21-14-11-12-18-17(13-14)19(20(25)22-18)23-24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,22,23,25)
InChIKeyZRAKIYKWIWZNJS-UHFFFAOYSA-N
XLogP4.83
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one (CID 137199823) is 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1=NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one?
The InChIKey is ZRAKIYKWIWZNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-14-11-12-18-17(13-14)19(20(25)22-18)23-24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,22,23,25).
What are the key properties of 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one?
5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one has a molecular weight of 347.81 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(diphenylhydrazinylidene)-1H-indol-2-one is sourced from PubChem (CID 137199823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).