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

C16H13ClN2O — CID 135559374

IUPAC3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=N/c1cccc(Cl)c1C)C(=O)N2
InChIInChI=1S/C16H13ClN2O/c1-9-6-7-14-11(8-9)15(16(20)19-14)18-13-5-3-4-12(17)10(13)2/h3-8H,1-2H3,(H,18,19,20)
InChIKeyKGDHWQSCJRVOCQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.03
Rot. Bonds1

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

3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one (PubChem CID 135559374) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
PubChem CID135559374
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)/C(=N/c1cccc(Cl)c1C)C(=O)N2
InChIInChI=1S/C16H13ClN2O/c1-9-6-7-14-11(8-9)15(16(20)19-14)18-13-5-3-4-12(17)10(13)2/h3-8H,1-2H3,(H,18,19,20)
InChIKeyKGDHWQSCJRVOCQ-UHFFFAOYSA-N
XLogP4.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-((4-Chlorophenyl)imino)indolin-2-one
CID 135411931
3-((3,4-Dimethylphenyl)imino)-1,3-dihydro-2H-indol-2-one
CID 135406017
3-(4-Methylanilino)indol-2-one
CID 135412515
5-(2-Chloroethyl)-6-chlorooxindole
CID 10609474
2-Indolinone, 3-(phenylimino)-
CID 135442567
7-Chloro-3-(3-methylanilino)indol-2-one
CID 135444078
(3Z)-3-(2-chlorobenzylidene)-1,3-dihydro-2H-indol-2-one
CID 727521
(E)-3-(2,3-dichlorophenylimino)indolin-2-one
CID 135559217
7-Methyl-3-p-tolylimino-1,3-dihydro-indol-2-one
CID 135495650
(3Z)-3-[(2,4,6-trimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135406219
5-(3-Chloro-phenyl)-3,3-dimethyl-1,3-dihydro-indol-2-one
CID 9816921
5-(3-Chloro-phenyl)-1,3-dihydro-indol-2-one
CID 9837713

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one?
The IUPAC name of 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one (CID 135559374) is 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)/C(=N/c1cccc(Cl)c1C)C(=O)N2.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one?
The InChIKey is KGDHWQSCJRVOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-9-6-7-14-11(8-9)15(16(20)19-14)18-13-5-3-4-12(17)10(13)2/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one?
3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one has a molecular weight of 284.75 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one is sourced from PubChem (CID 135559374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).