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

C15H20ClN3O — CID 79348594

IUPAC5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)CC3CCC3)c(Cl)cc21
InChIInChI=1S/C15H20ClN3O/c1-17-14-10-6-11(16)13(7-12(10)18-15(14)20)19(2)8-9-4-3-5-9/h6-7,9,14,17H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyCHSXZNOKHUSMHP-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.79
Rot. Bonds4

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

5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79348594) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79348594
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)CC3CCC3)c(Cl)cc21
InChIInChI=1S/C15H20ClN3O/c1-17-14-10-6-11(16)13(7-12(10)18-15(14)20)19(2)8-9-4-3-5-9/h6-7,9,14,17H,3-5,8H2,1-2H3,(H,18,20)
InChIKeyCHSXZNOKHUSMHP-UHFFFAOYSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.79
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 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (CID 79348594) is 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N(C)CC3CCC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is CHSXZNOKHUSMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-17-14-10-6-11(16)13(7-12(10)18-15(14)20)19(2)8-9-4-3-5-9/h6-7,9,14,17H,3-5,8H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 293.80 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[cyclobutylmethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79348594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).