6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one

C16H15ClN2O2 — CID 79344998

IUPAC6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(Cc1ccccc1)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C16H15ClN2O2/c1-19(9-10-5-3-2-4-6-10)14-8-13-11(7-12(14)17)15(20)16(21)18-13/h2-8,15,20H,9H2,1H3,(H,18,21)
InChIKeyLHYNAPLIJRDVIF-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.96
Rot. Bonds3

About 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one

6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79344998) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79344998
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(Cc1ccccc1)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C16H15ClN2O2/c1-19(9-10-5-3-2-4-6-10)14-8-13-11(7-12(14)17)15(20)16(21)18-13/h2-8,15,20H,9H2,1H3,(H,18,21)
InChIKeyLHYNAPLIJRDVIF-UHFFFAOYSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-hydroxy-3-(4-methyl-1-piperidinyl)-1,3-dihydro-2H-indol-2-one
CID 2934600
5-chloro-3-hydroxy-3-(3-methylpiperidin-1-yl)-1,3-dihydro-2H-indol-2-one
CID 22332435
2H-Indol-2-one, 1,3-dihydro-7-chloro-3-hydroxy-
CID 57489
5-Chloro-1-ethyl-3-hydroxy-3-phenylindol-2-one
CID 85860207
6-[(3-Fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586663
6-[Ethyl(2,2,2-trifluoroethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010486
3-Hydroxy-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 60892934
6-[(2-Fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 61412842
6-[(4-Fluorophenyl)methyl-methylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 61413075
3-Hydroxy-6-[propyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 61604971
3-Hydroxy-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 61605128
6-(N-ethyl-3-fluoroanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 61855871

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (CID 79344998) is 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is CN(Cc1ccccc1)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is LHYNAPLIJRDVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19(9-10-5-3-2-4-6-10)14-8-13-11(7-12(14)17)15(20)16(21)18-13/h2-8,15,20H,9H2,1H3,(H,18,21).
What are the key properties of 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 302.76 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).