1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

C18H14ClNO4 — CID 691243

IUPAC1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO4/c19-13-7-5-12(6-8-13)16(21)11-20-15-4-2-1-3-14(15)18(17(20)22)23-9-10-24-18/h1-8H,9-11H2
InChIKeyZSTKASWKKCILJO-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.77
Rot. Bonds3

About 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one

1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (PubChem CID 691243) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
PubChem CID691243
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
SMILESO=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClNO4/c19-13-7-5-12(6-8-13)16(21)11-20-15-4-2-1-3-14(15)18(17(20)22)23-9-10-24-18/h1-8H,9-11H2
InChIKeyZSTKASWKKCILJO-UHFFFAOYSA-N
XLogP2.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2-Chloro-4-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 4139750
1'-(2-Oxo-2-phenylethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 691242
1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 3245741
4-[[2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)acetyl]amino]-N-hydroxybenzamide
CID 90467936
1'-(2-(4-Fluorophenyl)-2-oxoethyl)-spiro[[1,3]-dioxolane-2,3'-indolin]-2'-one
CID 3239023
1'-(4-methyl-2-oxopentyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 3242876
2-(5'-chloro-2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)-N-hydroxyacetamide
CID 71603240
1'-(2-(3-Fluorophenyl)-2-oxoethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 134134820
1'-(2-(3-Chlorophenyl)-2-oxoethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 134139065
1'-(2-(3-Bromophenyl)-2-oxoethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 134140619
5'-chloro-1'-(3-methylbutyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9150077
1'-Benzyl-5'-chlorospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178088

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one (CID 691243) is 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
The InChIKey is ZSTKASWKKCILJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c19-13-7-5-12(6-8-13)16(21)11-20-15-4-2-1-3-14(15)18(17(20)22)23-9-10-24-18/h1-8H,9-11H2.
What are the key properties of 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one?
1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one has a molecular weight of 343.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-chlorophenyl)-2-oxoethyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one is sourced from PubChem (CID 691243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).