6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C17H11Cl4NO3 — CID 18889763

IUPAC6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(Cl)cc2Cl)c2c(ccc(Cl)c2Cl)C12OCCO2
InChIInChI=1S/C17H11Cl4NO3/c18-10-2-1-9(13(20)7-10)8-22-15-11(3-4-12(19)14(15)21)17(16(22)23)24-5-6-25-17/h1-4,7H,5-6,8H2
InChIKeyPHBOPFIRRWQAHD-UHFFFAOYSA-N
MW419.09 g/mol
LogP5.05
Rot. Bonds2

About 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 18889763) has the molecular formula C17H11Cl4NO3 and a molecular weight of 419.09 g/mol. Its IUPAC name is 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID18889763
Molecular FormulaC17H11Cl4NO3
Molecular Weight419.09 g/mol
Exact Mass416.95
IUPAC Name6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc(Cl)cc2Cl)c2c(ccc(Cl)c2Cl)C12OCCO2
InChIInChI=1S/C17H11Cl4NO3/c18-10-2-1-9(13(20)7-10)8-22-15-11(3-4-12(19)14(15)21)17(16(22)23)24-5-6-25-17/h1-4,7H,5-6,8H2
InChIKeyPHBOPFIRRWQAHD-UHFFFAOYSA-N
XLogP5.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.09
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one with MolForge

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Related Compounds

6',7'-dichloro-1'-ethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178226
1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177541
6',7'-dichloro-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889582
5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196256
1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
CID 94697420
(1R,2S,6S,7R)-4-[(2,4-dichlorophenyl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 126387003
5'-chloro-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161648
1'-[(2-butoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196261
4-[(2,4-dichlorophenyl)methyl]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2967024
2-[(2,4-dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidine
CID 151579174
5'-chloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178118
5'-chloro-1'-heptylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889511

Frequently Asked Questions

What is the IUPAC name of 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 18889763) is 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C1N(Cc2ccc(Cl)cc2Cl)c2c(ccc(Cl)c2Cl)C12OCCO2.
What is the InChIKey of 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is PHBOPFIRRWQAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl4NO3/c18-10-2-1-9(13(20)7-10)8-22-15-11(3-4-12(19)14(15)21)17(16(22)23)24-5-6-25-17/h1-4,7H,5-6,8H2.
What are the key properties of 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 419.09 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 18889763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).