3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one

C16H16ClN3O — CID 79343633

IUPAC3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one
SMILESCc1cccc(N(C)c2cc3c(cc2Cl)C(N)C(=O)N3)c1
InChIInChI=1S/C16H16ClN3O/c1-9-4-3-5-10(6-9)20(2)14-8-13-11(7-12(14)17)15(18)16(21)19-13/h3-8,15H,18H2,1-2H3,(H,19,21)
InChIKeyZBYPURNPOPJQKV-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.37
Rot. Bonds2

About 3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one

3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one (PubChem CID 79343633) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one
PubChem CID79343633
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one
SMILESCc1cccc(N(C)c2cc3c(cc2Cl)C(N)C(=O)N3)c1
InChIInChI=1S/C16H16ClN3O/c1-9-4-3-5-10(6-9)20(2)14-8-13-11(7-12(14)17)15(18)16(21)19-13/h3-8,15H,18H2,1-2H3,(H,19,21)
InChIKeyZBYPURNPOPJQKV-UHFFFAOYSA-N
XLogP3.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.37
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-(N,3-dimethylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one (CID 79343633) is 3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one is Cc1cccc(N(C)c2cc3c(cc2Cl)C(N)C(=O)N3)c1.
What is the InChIKey of 3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one?
The InChIKey is ZBYPURNPOPJQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-9-4-3-5-10(6-9)20(2)14-8-13-11(7-12(14)17)15(18)16(21)19-13/h3-8,15H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one?
3-amino-5-chloro-6-(N,3-dimethylanilino)-1,3-dihydroindol-2-one has a molecular weight of 301.78 g/mol, XLogP of 3.37, 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-(N,3-dimethylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).