5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one

C16H12Cl3NO — CID 61084786

IUPAC5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C16H12Cl3NO/c1-20-14-5-2-9(6-10(14)7-15(20)21)16(19)12-4-3-11(17)8-13(12)18/h2-6,8,16H,7H2,1H3
InChIKeyHZDAOWXGGSDPAU-UHFFFAOYSA-N
MW340.64 g/mol
LogP4.84
Rot. Bonds2

About 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one

5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 61084786) has the molecular formula C16H12Cl3NO and a molecular weight of 340.64 g/mol. Its IUPAC name is 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one
PubChem CID61084786
Molecular FormulaC16H12Cl3NO
Molecular Weight340.64 g/mol
Exact Mass339.00
IUPAC Name5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)c3ccc(Cl)cc3Cl)ccc21
InChIInChI=1S/C16H12Cl3NO/c1-20-14-5-2-9(6-10(14)7-15(20)21)16(19)12-4-3-11(17)8-13(12)18/h2-6,8,16H,7H2,1H3
InChIKeyHZDAOWXGGSDPAU-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[chloro-(4-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61083787
5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3H-indol-2-one
CID 107964509
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085194
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[chloro-(3,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085613
5-[(3,5-dichlorophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61087964
5-[bromo-(3-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098342
5-[bromo-(2-chlorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61098949
5-[(3-chloro-4-iodophenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 103210148
5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 61086222
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one (CID 61084786) is 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(Cl)c3ccc(Cl)cc3Cl)ccc21.
What is the InChIKey of 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is HZDAOWXGGSDPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO/c1-20-14-5-2-9(6-10(14)7-15(20)21)16(19)12-4-3-11(17)8-13(12)18/h2-6,8,16H,7H2,1H3.
What are the key properties of 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one?
5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 340.64 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,4-dichlorophenyl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61084786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).