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

C20H19Cl2NO4 — CID 9178207

IUPAC4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCC(C)Oc1ccccc1CN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C20H19Cl2NO4/c1-12(2)27-16-6-4-3-5-13(16)11-23-18-15(22)8-7-14(21)17(18)20(19(23)24)25-9-10-26-20/h3-8,12H,9-11H2,1-2H3
InChIKeyRCIWEESCTRTUJL-UHFFFAOYSA-N
MW408.28 g/mol
LogP4.53
Rot. Bonds4

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

4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 9178207) has the molecular formula C20H19Cl2NO4 and a molecular weight of 408.28 g/mol. Its IUPAC name is 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID9178207
Molecular FormulaC20H19Cl2NO4
Molecular Weight408.28 g/mol
Exact Mass407.07
IUPAC Name4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESCC(C)Oc1ccccc1CN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C20H19Cl2NO4/c1-12(2)27-16-6-4-3-5-13(16)11-23-18-15(22)8-7-14(21)17(18)20(19(23)24)25-9-10-26-20/h3-8,12H,9-11H2,1-2H3
InChIKeyRCIWEESCTRTUJL-UHFFFAOYSA-N
XLogP4.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4',7'-dichloro-1'-[2-(2-chlorophenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889737
4',7'-dichloro-1'-(2-phenoxyethyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178215
4',7'-dimethyl-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9177951
4',7'-dichloro-1'-[2-(4-methylphenoxy)ethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178218
(3R)-4,7-dichloro-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 7444837
6',7'-dichloro-1'-[(2-prop-2-enoxyphenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889582
4',7'-dichloro-1'-[3-(2,4-dichlorophenoxy)propyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889748
1'-[(2-butoxyphenyl)methyl]-7'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18884320
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
N-[4-acetyl-7'-methyl-2'-oxo-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
CID 22696445
N-[(5S)-4-acetyl-7'-methyl-2'-oxo-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
CID 27542938
1'-[(2-butoxyphenyl)methyl]-5'-chlorospiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9196261

Frequently Asked Questions

What is the IUPAC name of 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 9178207) is 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is CC(C)Oc1ccccc1CN1C(=O)C2(OCCO2)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is RCIWEESCTRTUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO4/c1-12(2)27-16-6-4-3-5-13(16)11-23-18-15(22)8-7-14(21)17(18)20(19(23)24)25-9-10-26-20/h3-8,12H,9-11H2,1-2H3.
What are the key properties of 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 408.28 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4',7'-dichloro-1'-[(2-propan-2-yloxyphenyl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 9178207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).