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

C23H22FNO5 — CID 46870278

IUPAC1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(F)cc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H22FNO5/c1-28-20-8-6-16(24)12-17(20)21(26)15-5-7-19-18(11-15)23(29-9-2-10-30-23)22(27)25(19)13-14-3-4-14/h5-8,11-12,14H,2-4,9-10,13H2,1H3
InChIKeyOTXQJSKODIFMJJ-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.41
Rot. Bonds5

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

1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46870278) has the molecular formula C23H22FNO5 and a molecular weight of 411.43 g/mol. Its IUPAC name is 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46870278
Molecular FormulaC23H22FNO5
Molecular Weight411.43 g/mol
Exact Mass411.15
IUPAC Name1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESCOc1ccc(F)cc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1
InChIInChI=1S/C23H22FNO5/c1-28-20-8-6-16(24)12-17(20)21(26)15-5-7-19-18(11-15)23(29-9-2-10-30-23)22(27)25(19)13-14-3-4-14/h5-8,11-12,14H,2-4,9-10,13H2,1H3
InChIKeyOTXQJSKODIFMJJ-UHFFFAOYSA-N
XLogP3.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1'-(cyclopropylmethyl)-5'-(2-methoxy-5-methylbenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871595
1'-(cyclopropylmethyl)-5'-(2,6-dimethoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46870372
5'-(3-chlorobenzoyl)-1'-(cyclopropylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871346
1'-(cyclopropylmethyl)-5'-[3-(trifluoromethoxy)benzoyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 46871427
1'-(cyclopropylmethyl)-5'-(N-methylanilino)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 67532565
1'-(cyclopropylmethyl)-5'-pyridin-4-yloxyspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 90721733
1'-(cyclopropylmethyl)-5'-(3,5-dichlorophenyl)sulfanylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 67532350
1'-(cyclopropylmethyl)-5'-[(2,5-dichlorophenyl)-hydroxymethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 91565461
1'-(cyclopropylmethyl)-5'-pyridin-3-ylsulfonylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 154292351
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46870278) is 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is COc1ccc(F)cc1C(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2CC1CC1.
What is the InChIKey of 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is OTXQJSKODIFMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO5/c1-28-20-8-6-16(24)12-17(20)21(26)15-5-7-19-18(11-15)23(29-9-2-10-30-23)22(27)25(19)13-14-3-4-14/h5-8,11-12,14H,2-4,9-10,13H2,1H3.
What are the key properties of 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 411.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethyl)-5'-(5-fluoro-2-methoxybenzoyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46870278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).