5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one

C16H13ClN2O2 — CID 91132668

IUPAC5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3ccc(Cl)cc32)ccc1O
InChIInChI=1S/C16H13ClN2O2/c1-9-6-11(3-5-15(9)20)18-8-13-12-7-10(17)2-4-14(12)19-16(13)21/h2-8,13,20H,1H3,(H,19,21)/b18-8+
InChIKeyTZBHAULAWUELJA-QGMBQPNBSA-N
MW300.75 g/mol
LogP3.79
Rot. Bonds2

About 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one

5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91132668) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91132668
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3ccc(Cl)cc32)ccc1O
InChIInChI=1S/C16H13ClN2O2/c1-9-6-11(3-5-15(9)20)18-8-13-12-7-10(17)2-4-14(12)19-16(13)21/h2-8,13,20H,1H3,(H,19,21)/b18-8+
InChIKeyTZBHAULAWUELJA-QGMBQPNBSA-N
XLogP3.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one (CID 91132668) is 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one is Cc1cc(/N=C/C2C(=O)Nc3ccc(Cl)cc32)ccc1O.
What is the InChIKey of 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is TZBHAULAWUELJA-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9-6-11(3-5-15(9)20)18-8-13-12-7-10(17)2-4-14(12)19-16(13)21/h2-8,13,20H,1H3,(H,19,21)/b18-8+.
What are the key properties of 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one?
5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 300.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91132668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).