3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one

C15H12Cl2N2O — CID 43098558

IUPAC3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1cc(Cl)cc(Cl)c1)C(=O)N2
InChIInChI=1S/C15H12Cl2N2O/c1-8-2-3-13-12(4-8)14(15(20)19-13)18-11-6-9(16)5-10(17)7-11/h2-7,14,18H,1H3,(H,19,20)
InChIKeyIVWAEUZIBZWITA-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.41
Rot. Bonds2

About 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one

3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one (PubChem CID 43098558) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
PubChem CID43098558
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(Nc1cc(Cl)cc(Cl)c1)C(=O)N2
InChIInChI=1S/C15H12Cl2N2O/c1-8-2-3-13-12(4-8)14(15(20)19-13)18-11-6-9(16)5-10(17)7-11/h2-7,14,18H,1H3,(H,19,20)
InChIKeyIVWAEUZIBZWITA-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one (CID 43098558) is 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(Nc1cc(Cl)cc(Cl)c1)C(=O)N2.
What is the InChIKey of 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is IVWAEUZIBZWITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-8-2-3-13-12(4-8)14(15(20)19-13)18-11-6-9(16)5-10(17)7-11/h2-7,14,18H,1H3,(H,19,20).
What are the key properties of 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one?
3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 307.18 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43098558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).