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

C12H13ClF3N3O — CID 79349644

IUPAC3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCC(F)(F)F)c1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C12H13ClF3N3O/c1-19(3-2-12(14,15)16)9-5-8-6(4-7(9)13)10(17)11(20)18-8/h4-5,10H,2-3,17H2,1H3,(H,18,20)
InChIKeyYRQHXQQAMFSAOJ-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.68
Rot. Bonds3

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

3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79349644) has the molecular formula C12H13ClF3N3O and a molecular weight of 307.70 g/mol. Its IUPAC name is 3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one
PubChem CID79349644
Molecular FormulaC12H13ClF3N3O
Molecular Weight307.70 g/mol
Exact Mass307.07
IUPAC Name3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCC(F)(F)F)c1cc2c(cc1Cl)C(N)C(=O)N2
InChIInChI=1S/C12H13ClF3N3O/c1-19(3-2-12(14,15)16)9-5-8-6(4-7(9)13)10(17)11(20)18-8/h4-5,10H,2-3,17H2,1H3,(H,18,20)
InChIKeyYRQHXQQAMFSAOJ-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(methylamino)-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one
CID 79344116
3-amino-5-chloro-6-[methyl(2-propan-2-yloxyethyl)amino]-1,3-dihydroindol-2-one
CID 81055148
3-amino-5-chloro-6-[methyl(2-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79348858
3-amino-5-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]-1,3-dihydroindol-2-one
CID 79349107
3-amino-5-chloro-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one
CID 112660628
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
5-chloro-3-(ethylamino)-6-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 79342971
3-amino-5-chloro-6-(3-fluoro-N-methylanilino)-1,3-dihydroindol-2-one
CID 79343637
5-chloro-3-(methylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
CID 79349800
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-chloro-3-(ethylamino)-6-[methyl(propyl)amino]-1,3-dihydroindol-2-one
CID 79349890
3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one
CID 79343633

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one (CID 79349644) is 3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one is CN(CCC(F)(F)F)c1cc2c(cc1Cl)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is YRQHXQQAMFSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O/c1-19(3-2-12(14,15)16)9-5-8-6(4-7(9)13)10(17)11(20)18-8/h4-5,10H,2-3,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 307.70 g/mol, XLogP of 2.68, 3 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-[methyl(3,3,3-trifluoropropyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).