1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C25H21F2NO3 — CID 46870836

IUPAC1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(c2ccc(F)c(F)c2)c2ccc(CCc3ccccc3)cc2C12OCCCO2
InChIInChI=1S/C25H21F2NO3/c26-21-11-10-19(16-22(21)27)28-23-12-9-18(8-7-17-5-2-1-3-6-17)15-20(23)25(24(28)29)30-13-4-14-31-25/h1-3,5-6,9-12,15-16H,4,7-8,13-14H2
InChIKeyPZKOCINDCZFMRF-UHFFFAOYSA-N
MW421.44 g/mol
LogP5.02
Rot. Bonds4

About 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 46870836) has the molecular formula C25H21F2NO3 and a molecular weight of 421.44 g/mol. Its IUPAC name is 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID46870836
Molecular FormulaC25H21F2NO3
Molecular Weight421.44 g/mol
Exact Mass421.15
IUPAC Name1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(c2ccc(F)c(F)c2)c2ccc(CCc3ccccc3)cc2C12OCCCO2
InChIInChI=1S/C25H21F2NO3/c26-21-11-10-19(16-22(21)27)28-23-12-9-18(8-7-17-5-2-1-3-6-17)15-20(23)25(24(28)29)30-13-4-14-31-25/h1-3,5-6,9-12,15-16H,4,7-8,13-14H2
InChIKeyPZKOCINDCZFMRF-UHFFFAOYSA-N
XLogP5.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one with MolForge

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Related Compounds

trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione
CID 644733
1'-Allyl-5'-methylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 781761
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
(5'-methyl-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)acetonitrile
CID 16456966
spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 653687
5'-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 2987227
1'-allyl-5'-butylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 9177725
1'-Allylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 2991603
1'-butyl-7'-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 18889437
1'-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 18889388
1'-(2,5-dimethylbenzyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 3238323
1'-(2-methylbenzyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 3238951

Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 46870836) is 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(c2ccc(F)c(F)c2)c2ccc(CCc3ccccc3)cc2C12OCCCO2.
What is the InChIKey of 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is PZKOCINDCZFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2NO3/c26-21-11-10-19(16-22(21)27)28-23-12-9-18(8-7-17-5-2-1-3-6-17)15-20(23)25(24(28)29)30-13-4-14-31-25/h1-3,5-6,9-12,15-16H,4,7-8,13-14H2.
What are the key properties of 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 421.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-difluorophenyl)-5'-(2-phenylethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 46870836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).