7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one

C16H13Cl2NO — CID 46942940

IUPAC7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2ccccc2Cl)C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C16H13Cl2NO/c1-16(9-10-5-2-3-7-12(10)17)11-6-4-8-13(18)14(11)19-15(16)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyUIWZUDIUEDDMMB-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.45
Rot. Bonds2

About 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one

7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one (PubChem CID 46942940) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one
PubChem CID46942940
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2ccccc2Cl)C(=O)Nc2c(Cl)cccc21
InChIInChI=1S/C16H13Cl2NO/c1-16(9-10-5-2-3-7-12(10)17)11-6-4-8-13(18)14(11)19-15(16)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeyUIWZUDIUEDDMMB-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one?
The IUPAC name of 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one (CID 46942940) is 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one?
The canonical SMILES for 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one is CC1(Cc2ccccc2Cl)C(=O)Nc2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one?
The InChIKey is UIWZUDIUEDDMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-16(9-10-5-2-3-7-12(10)17)11-6-4-8-13(18)14(11)19-15(16)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one?
7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one has a molecular weight of 306.19 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(2-chlorophenyl)methyl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 46942940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).