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

C15H12ClNO — CID 82089387

IUPAC5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(-c3ccccc3Cl)cc21
InChIInChI=1S/C15H12ClNO/c1-9-12-8-10(6-7-14(12)17-15(9)18)11-4-2-3-5-13(11)16/h2-9H,1H3,(H,17,18)
InChIKeyKPUMIWDLAILTTI-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.06
Rot. Bonds1

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

5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82089387) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID82089387
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(-c3ccccc3Cl)cc21
InChIInChI=1S/C15H12ClNO/c1-9-12-8-10(6-7-14(12)17-15(9)18)11-4-2-3-5-13(11)16/h2-9H,1H3,(H,17,18)
InChIKeyKPUMIWDLAILTTI-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one (CID 82089387) is 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(-c3ccccc3Cl)cc21.
What is the InChIKey of 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is KPUMIWDLAILTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c1-9-12-8-10(6-7-14(12)17-15(9)18)11-4-2-3-5-13(11)16/h2-9H,1H3,(H,17,18).
What are the key properties of 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one?
5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 257.72 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82089387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).