1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C22H19Cl2NO4 — CID 46871591

IUPAC1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H19Cl2NO4/c23-17-4-1-3-15(19(17)24)20(26)14-7-8-18-16(11-14)22(28-9-2-10-29-22)21(27)25(18)12-13-5-6-13/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2
InChIKeyLQIGTGRFUCXIQW-UHFFFAOYSA-N
MW432.30 g/mol
LogP4.57
Rot. Bonds4

About 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46871591) has the molecular formula C22H19Cl2NO4 and a molecular weight of 432.30 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46871591
Molecular FormulaC22H19Cl2NO4
Molecular Weight432.30 g/mol
Exact Mass431.07
IUPAC Name1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C22H19Cl2NO4/c23-17-4-1-3-15(19(17)24)20(26)14-7-8-18-16(11-14)22(28-9-2-10-29-22)21(27)25(18)12-13-5-6-13/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2
InChIKeyLQIGTGRFUCXIQW-UHFFFAOYSA-N
XLogP4.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46871591) is 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is LQIGTGRFUCXIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO4/c23-17-4-1-3-15(19(17)24)20(26)14-7-8-18-16(11-14)22(28-9-2-10-29-22)21(27)25(18)12-13-5-6-13/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2.
What are the key properties of 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 432.30 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-(2,3-dichlorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46871591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).