1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one

C15H11Cl2NO — CID 160578438

IUPAC1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C15H11Cl2NO/c1-9-10-5-2-3-8-13(10)18(15(9)19)14-11(16)6-4-7-12(14)17/h2-9H,1H3
InChIKeyRBLNQXJJEDZOQY-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.78
Rot. Bonds1

About 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one

1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one (PubChem CID 160578438) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one
PubChem CID160578438
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C15H11Cl2NO/c1-9-10-5-2-3-8-13(10)18(15(9)19)14-11(16)6-4-7-12(14)17/h2-9H,1H3
InChIKeyRBLNQXJJEDZOQY-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-methyl-1-phenyl-3H-indol-2-one
CID 6951281
3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one
CID 7547806
1-hydroxy-3-methyl-3H-indol-2-one
CID 14740978
(3S)-1-(2,6-dichlorophenyl)-3-(3-hydroxypropyliminomethyl)-3H-indol-2-one
CID 7000535
(3Z)-3-[(4-chlorophenyl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one
CID 42600725
(3Z)-3-[(2-chlorophenyl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one
CID 42600227
(3Z)-1-(2,6-dichlorophenyl)-3-[(2,4-dichlorophenyl)methylidene]indol-2-one
CID 42600229
1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one
CID 153475776
1-(2,6-dichlorophenyl)-7-methoxy-3-methyl-3,4-dihydroquinolin-2-one
CID 154452856
3,5-bis(2-chlorophenyl)-1-(2-methylphenyl)piperidine-2,6-dione
CID 57393574
3-methyl-1-propanoyl-3H-indol-2-one
CID 145119446
3-(2-chlorophenyl)-5,6-dimethyl-1,3-diazinane-2,4-dione
CID 113416658

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one (CID 160578438) is 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one is CC1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one?
The InChIKey is RBLNQXJJEDZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c1-9-10-5-2-3-8-13(10)18(15(9)19)14-11(16)6-4-7-12(14)17/h2-9H,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one?
1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one has a molecular weight of 292.17 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-methyl-3H-indol-2-one is sourced from PubChem (CID 160578438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).