5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C18H15Cl2NO3 — CID 9196256

IUPAC5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2C12OCCCO2
InChIInChI=1S/C18H15Cl2NO3/c19-13-6-7-16-14(10-13)18(23-8-3-9-24-18)17(22)21(16)11-12-4-1-2-5-15(12)20/h1-2,4-7,10H,3,8-9,11H2
InChIKeyPDIRMMJDGPFTCE-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.13
Rot. Bonds2

About 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9196256) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9196256
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2C12OCCCO2
InChIInChI=1S/C18H15Cl2NO3/c19-13-6-7-16-14(10-13)18(23-8-3-9-24-18)17(22)21(16)11-12-4-1-2-5-15(12)20/h1-2,4-7,10H,3,8-9,11H2
InChIKeyPDIRMMJDGPFTCE-UHFFFAOYSA-N
XLogP4.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2-butoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196261
5'-chloro-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161648
5'-chloro-1'-heptylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889511
5'-chloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178118
1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177541
6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889763
ethyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-2-oxoindole-3-carboxylate
CID 70533846
5'-chloro-1'-[(3-methoxy-4-pentoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884339
(3R)-5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 40875805
5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 4522231
1'-[2-(4-acetylphenoxy)ethyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177608
(2R)-5'-chloro-1'-[(2-chlorophenyl)methyl]-3-(cyclopentanecarbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186769

Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9196256) is 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2C12OCCCO2.
What is the InChIKey of 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is PDIRMMJDGPFTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c19-13-6-7-16-14(10-13)18(23-8-3-9-24-18)17(22)21(16)11-12-4-1-2-5-15(12)20/h1-2,4-7,10H,3,8-9,11H2.
What are the key properties of 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 364.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9196256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).