3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one

C15H11ClN2O — CID 135472382

IUPAC3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one
SMILESCc1ccc(Cl)cc1/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C15H11ClN2O/c1-9-6-7-10(16)8-13(9)17-14-11-4-2-3-5-12(11)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKeyKFNZBIDWISKLQM-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.72
Rot. Bonds1

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

3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one (PubChem CID 135472382) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one
PubChem CID135472382
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one
SMILESCc1ccc(Cl)cc1/N=C1\C(=O)Nc2ccccc21
InChIInChI=1S/C15H11ClN2O/c1-9-6-7-10(16)8-13(9)17-14-11-4-2-3-5-12(11)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKeyKFNZBIDWISKLQM-UHFFFAOYSA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one (CID 135472382) is 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one is Cc1ccc(Cl)cc1/N=C1\C(=O)Nc2ccccc21.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one?
The InChIKey is KFNZBIDWISKLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-9-6-7-10(16)8-13(9)17-14-11-4-2-3-5-12(11)18-15(14)19/h2-8H,1H3,(H,17,18,19).
What are the key properties of 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one?
3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one has a molecular weight of 270.72 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135472382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).