6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one

C12H15ClN2O — CID 82236806

IUPAC6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
SMILESCC(C)CNC1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-7(2)6-14-11-9-4-3-8(13)5-10(9)15-12(11)16/h3-5,7,11,14H,6H2,1-2H3,(H,15,16)
InChIKeyYGRGXSDYUPLXIP-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.58
Rot. Bonds3

About 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one

6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one (PubChem CID 82236806) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
PubChem CID82236806
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
SMILESCC(C)CNC1C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-7(2)6-14-11-9-4-3-8(13)5-10(9)15-12(11)16/h3-5,7,11,14H,6H2,1-2H3,(H,15,16)
InChIKeyYGRGXSDYUPLXIP-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one (CID 82236806) is 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one is CC(C)CNC1C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one?
The InChIKey is YGRGXSDYUPLXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7(2)6-14-11-9-4-3-8(13)5-10(9)15-12(11)16/h3-5,7,11,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one?
6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methylpropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82236806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).