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

C13H17ClN2O2 — CID 79336345

IUPAC6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCCCN(C)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C13H17ClN2O2/c1-3-4-5-16(2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7,12,17H,3-5H2,1-2H3,(H,15,18)
InChIKeyATJTVRUFPBEPBD-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.56
Rot. Bonds4

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

6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79336345) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79336345
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCCCN(C)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C13H17ClN2O2/c1-3-4-5-16(2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7,12,17H,3-5H2,1-2H3,(H,15,18)
InChIKeyATJTVRUFPBEPBD-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one (CID 79336345) is 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is CCCCN(C)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is ATJTVRUFPBEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-4-5-16(2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7,12,17H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one?
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 268.74 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).