3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one

C17H17ClN2O — CID 43108405

IUPAC3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NC(C)c1ccccc1Cl)C(=O)N2
InChIInChI=1S/C17H17ClN2O/c1-10-7-8-15-13(9-10)16(17(21)20-15)19-11(2)12-5-3-4-6-14(12)18/h3-9,11,16,19H,1-2H3,(H,20,21)
InChIKeyKKRLXXROSYLPHI-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.99
Rot. Bonds3

About 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one

3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43108405) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
PubChem CID43108405
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NC(C)c1ccccc1Cl)C(=O)N2
InChIInChI=1S/C17H17ClN2O/c1-10-7-8-15-13(9-10)16(17(21)20-15)19-11(2)12-5-3-4-6-14(12)18/h3-9,11,16,19H,1-2H3,(H,20,21)
InChIKeyKKRLXXROSYLPHI-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-[1-(2-chlorophenyl)ethylamino]-1,3-dihydroindol-2-one
CID 43094852
3-[1-(2-bromophenyl)ethylamino]-5-chloro-1,3-dihydroindol-2-one
CID 43680023
5-methyl-3-(2-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43192468
3-(1-cyclopropylethylamino)-5-methyl-1,3-dihydroindol-2-one
CID 43533291
3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43098558
N-[1-(2-chlorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956089
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
methyl 4-methyl-2-[(5-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]pentanoate
CID 43688975
N-[(3S)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 9178373
3-(4-chloro-2-methylanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43201943
3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43123963
3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43535566

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one (CID 43108405) is 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(NC(C)c1ccccc1Cl)C(=O)N2.
What is the InChIKey of 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is KKRLXXROSYLPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-10-7-8-15-13(9-10)16(17(21)20-15)19-11(2)12-5-3-4-6-14(12)18/h3-9,11,16,19H,1-2H3,(H,20,21).
What are the key properties of 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one?
3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 300.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)ethylamino]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43108405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).