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

C15H22ClN3O — CID 79349107

IUPAC3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCC(N(C)c1cc2c(cc1Cl)C(N)C(=O)N2)C(C)(C)C
InChIInChI=1S/C15H22ClN3O/c1-8(15(2,3)4)19(5)12-7-11-9(6-10(12)16)13(17)14(20)18-11/h6-8,13H,17H2,1-5H3,(H,18,20)
InChIKeyZNPIGZUOANQFEG-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.16
Rot. Bonds2

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

3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79349107) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID79349107
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCC(N(C)c1cc2c(cc1Cl)C(N)C(=O)N2)C(C)(C)C
InChIInChI=1S/C15H22ClN3O/c1-8(15(2,3)4)19(5)12-7-11-9(6-10(12)16)13(17)14(20)18-11/h6-8,13H,17H2,1-5H3,(H,18,20)
InChIKeyZNPIGZUOANQFEG-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one (CID 79349107) is 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one is CC(N(C)c1cc2c(cc1Cl)C(N)C(=O)N2)C(C)(C)C.
What is the InChIKey of 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is ZNPIGZUOANQFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-8(15(2,3)4)19(5)12-7-11-9(6-10(12)16)13(17)14(20)18-11/h6-8,13H,17H2,1-5H3,(H,18,20).
What are the key properties of 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 295.81 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).