4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one

C15H10ClFN2O — CID 135559851

IUPAC4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)/C2=N\c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O/c1-8-2-7-11(16)12-13(8)19-15(20)14(12)18-10-5-3-9(17)4-6-10/h2-7H,1H3,(H,18,19,20)
InChIKeyDQQUAZODRAHLDV-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.86
Rot. Bonds1

About 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one

4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one (PubChem CID 135559851) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one
PubChem CID135559851
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)/C2=N\c1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O/c1-8-2-7-11(16)12-13(8)19-15(20)14(12)18-10-5-3-9(17)4-6-10/h2-7H,1H3,(H,18,19,20)
InChIKeyDQQUAZODRAHLDV-UHFFFAOYSA-N
XLogP3.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one?
The IUPAC name of 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one (CID 135559851) is 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one?
The canonical SMILES for 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)/C2=N\c1ccc(F)cc1.
What is the InChIKey of 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one?
The InChIKey is DQQUAZODRAHLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-8-2-7-11(16)12-13(8)19-15(20)14(12)18-10-5-3-9(17)4-6-10/h2-7H,1H3,(H,18,19,20).
What are the key properties of 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one?
4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one has a molecular weight of 288.71 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-fluorophenyl)imino-7-methyl-1H-indol-2-one is sourced from PubChem (CID 135559851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).