3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one

C14H7BrCl2N2O — CID 135559525

IUPAC3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one
SMILESO=C1Nc2c(Cl)cccc2/C1=N/c1ccc(Br)cc1Cl
InChIInChI=1S/C14H7BrCl2N2O/c15-7-4-5-11(10(17)6-7)18-13-8-2-1-3-9(16)12(8)19-14(13)20/h1-6H,(H,18,19,20)
InChIKeyCOBSOMXXYKNYQE-UHFFFAOYSA-N
MW370.03 g/mol
LogP4.83
Rot. Bonds1

About 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one

3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one (PubChem CID 135559525) has the molecular formula C14H7BrCl2N2O and a molecular weight of 370.03 g/mol. Its IUPAC name is 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one
PubChem CID135559525
Molecular FormulaC14H7BrCl2N2O
Molecular Weight370.03 g/mol
Exact Mass367.91
IUPAC Name3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one
SMILESO=C1Nc2c(Cl)cccc2/C1=N/c1ccc(Br)cc1Cl
InChIInChI=1S/C14H7BrCl2N2O/c15-7-4-5-11(10(17)6-7)18-13-8-2-1-3-9(16)12(8)19-14(13)20/h1-6H,(H,18,19,20)
InChIKeyCOBSOMXXYKNYQE-UHFFFAOYSA-N
XLogP4.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.03
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-bromo-2-chlorophenyl)imino-7-chloro-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-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one?
The IUPAC name of 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one (CID 135559525) is 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one.
What is the SMILES notation for 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one?
The canonical SMILES for 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one is O=C1Nc2c(Cl)cccc2/C1=N/c1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one?
The InChIKey is COBSOMXXYKNYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2O/c15-7-4-5-11(10(17)6-7)18-13-8-2-1-3-9(16)12(8)19-14(13)20/h1-6H,(H,18,19,20).
What are the key properties of 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one?
3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one has a molecular weight of 370.03 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chlorophenyl)imino-7-chloro-1H-indol-2-one is sourced from PubChem (CID 135559525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).