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

C22H20FNO4 — CID 46871261

IUPAC1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1)c1ccccc1F
InChIInChI=1S/C22H20FNO4/c23-18-5-2-1-4-16(18)20(25)15-8-9-19-17(12-15)22(27-10-3-11-28-22)21(26)24(19)13-14-6-7-14/h1-2,4-5,8-9,12,14H,3,6-7,10-11,13H2
InChIKeyDJLGIDZKALCNHX-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.40
Rot. Bonds4

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

1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46871261) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46871261
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1)c1ccccc1F
InChIInChI=1S/C22H20FNO4/c23-18-5-2-1-4-16(18)20(25)15-8-9-19-17(12-15)22(27-10-3-11-28-22)21(26)24(19)13-14-6-7-14/h1-2,4-5,8-9,12,14H,3,6-7,10-11,13H2
InChIKeyDJLGIDZKALCNHX-UHFFFAOYSA-N
XLogP3.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46871261) is 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1)c1ccccc1F.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is DJLGIDZKALCNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c23-18-5-2-1-4-16(18)20(25)15-8-9-19-17(12-15)22(27-10-3-11-28-22)21(26)24(19)13-14-6-7-14/h1-2,4-5,8-9,12,14H,3,6-7,10-11,13H2.
What are the key properties of 1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-(2-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 381.40 g/mol, XLogP of 3.40, 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-fluorobenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46871261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).