3-(4-bromophenyl)imino-1-methylindol-2-one

C15H11BrN2O — CID 1239897

IUPAC3-(4-bromophenyl)imino-1-methylindol-2-one
SMILESCN1C(=O)/C(=N\c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C15H11BrN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3/b17-14-
InChIKeyLXAKRQNEVOPYKJ-VKAVYKQESA-N
MW315.17 g/mol
LogP3.55
Rot. Bonds1

About 3-(4-bromophenyl)imino-1-methylindol-2-one

3-(4-bromophenyl)imino-1-methylindol-2-one (PubChem CID 1239897) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)imino-1-methylindol-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)imino-1-methylindol-2-one
PubChem CID1239897
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-(4-bromophenyl)imino-1-methylindol-2-one
SMILESCN1C(=O)/C(=N\c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C15H11BrN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3/b17-14-
InChIKeyLXAKRQNEVOPYKJ-VKAVYKQESA-N
XLogP3.55
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-bromophenyl)imino-1-methylindol-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-bromophenyl)imino-1-methylindol-2-one?
The IUPAC name of 3-(4-bromophenyl)imino-1-methylindol-2-one (CID 1239897) is 3-(4-bromophenyl)imino-1-methylindol-2-one.
What is the SMILES notation for 3-(4-bromophenyl)imino-1-methylindol-2-one?
The canonical SMILES for 3-(4-bromophenyl)imino-1-methylindol-2-one is CN1C(=O)/C(=N\c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 3-(4-bromophenyl)imino-1-methylindol-2-one?
The InChIKey is LXAKRQNEVOPYKJ-VKAVYKQESA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-18-13-5-3-2-4-12(13)14(15(18)19)17-11-8-6-10(16)7-9-11/h2-9H,1H3/b17-14-.
What are the key properties of 3-(4-bromophenyl)imino-1-methylindol-2-one?
3-(4-bromophenyl)imino-1-methylindol-2-one has a molecular weight of 315.17 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)imino-1-methylindol-2-one is sourced from PubChem (CID 1239897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).