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

C15H11ClN2O — CID 135444078

IUPAC7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one
SMILESCc1cccc(/N=C2\C(=O)Nc3c(Cl)cccc32)c1
InChIInChI=1S/C15H11ClN2O/c1-9-4-2-5-10(8-9)17-14-11-6-3-7-12(16)13(11)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKeyYCYAZXMGVVIAFP-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.72
Rot. Bonds1

About 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one

7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one (PubChem CID 135444078) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one
PubChem CID135444078
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one
SMILESCc1cccc(/N=C2\C(=O)Nc3c(Cl)cccc32)c1
InChIInChI=1S/C15H11ClN2O/c1-9-4-2-5-10(8-9)17-14-11-6-3-7-12(16)13(11)18-15(14)19/h2-8H,1H3,(H,17,18,19)
InChIKeyYCYAZXMGVVIAFP-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'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one?
The IUPAC name of 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one (CID 135444078) is 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one is Cc1cccc(/N=C2\C(=O)Nc3c(Cl)cccc32)c1.
What is the InChIKey of 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one?
The InChIKey is YCYAZXMGVVIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-9-4-2-5-10(8-9)17-14-11-6-3-7-12(16)13(11)18-15(14)19/h2-8H,1H3,(H,17,18,19).
What are the key properties of 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one?
7-chloro-3-(3-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 7-chloro-3-(3-methylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135444078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).