1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one

C20H19Cl2NO3 — CID 9177541

IUPAC1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1cc(C)c2c(c1)C1(OCCCO1)C(=O)N2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2NO3/c1-12-8-13(2)18-16(9-12)20(25-6-3-7-26-20)19(24)23(18)11-14-4-5-15(21)10-17(14)22/h4-5,8-10H,3,6-7,11H2,1-2H3
InChIKeyIDCRLFVYAXFBBS-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.75
Rot. Bonds2

About 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 9177541) has the molecular formula C20H19Cl2NO3 and a molecular weight of 392.28 g/mol. Its IUPAC name is 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID9177541
Molecular FormulaC20H19Cl2NO3
Molecular Weight392.28 g/mol
Exact Mass391.07
IUPAC Name1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCc1cc(C)c2c(c1)C1(OCCCO1)C(=O)N2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2NO3/c1-12-8-13(2)18-16(9-12)20(25-6-3-7-26-20)19(24)23(18)11-14-4-5-15(21)10-17(14)22/h4-5,8-10H,3,6-7,11H2,1-2H3
InChIKeyIDCRLFVYAXFBBS-UHFFFAOYSA-N
XLogP4.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6',7'-dichloro-1'-[(2,4-dichlorophenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889763
1'-butyl-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177518
5'-chloro-1'-[(2-chlorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196256
1'-[(4-butoxy-3-methoxyphenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177543
5',7'-dimethyl-1'-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177564
5',7'-dimethyl-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178050
1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
CID 94697420
1'-[3-(4-methoxyphenoxy)propyl]-5',7'-dimethylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178043
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
1'-[(2-butoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196261
1'-[(4-ethoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884322

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one (CID 9177541) is 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one is Cc1cc(C)c2c(c1)C1(OCCCO1)C(=O)N2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is IDCRLFVYAXFBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO3/c1-12-8-13(2)18-16(9-12)20(25-6-3-7-26-20)19(24)23(18)11-14-4-5-15(21)10-17(14)22/h4-5,8-10H,3,6-7,11H2,1-2H3.
What are the key properties of 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 392.28 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,4-dichlorophenyl)methyl]-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 9177541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).