7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one

C11H13ClN2O — CID 82235334

IUPAC7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(C)NC1C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C11H13ClN2O/c1-6(2)13-10-7-4-3-5-8(12)9(7)14-11(10)15/h3-6,10,13H,1-2H3,(H,14,15)
InChIKeyGPRPDIAGYYJBBK-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.33
Rot. Bonds2

About 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one

7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 82235334) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID82235334
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCC(C)NC1C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C11H13ClN2O/c1-6(2)13-10-7-4-3-5-8(12)9(7)14-11(10)15/h3-6,10,13H,1-2H3,(H,14,15)
InChIKeyGPRPDIAGYYJBBK-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-3-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 82239753
5,7-dimethyl-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
CID 82235316
7-chloro-3-(1-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986742
3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
CID 63555300
3-anilino-7-methyl-1,3-dihydroindol-2-one
CID 114996622
3-(methylamino)-7-piperidin-1-yl-1,3-dihydroindol-2-one
CID 114992991
3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one
CID 82236321
9-chloro-3-propan-2-yl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 170859703
7-chloro-5-methyl-3-(methylamino)-1,3-dihydroindol-2-one
CID 82234591
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699
3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
CID 43108405
5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43094852

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one (CID 82235334) is 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one is CC(C)NC1C(=O)Nc2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is GPRPDIAGYYJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-6(2)13-10-7-4-3-5-8(12)9(7)14-11(10)15/h3-6,10,13H,1-2H3,(H,14,15).
What are the key properties of 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one?
7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(propan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 82235334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).