[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone

C24H24ClFN2O3 — CID 155986949

IUPAC[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
SMILESCc1c(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(Cl)c4)CO3)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C24H24ClFN2O3/c1-15-20-11-17(26)6-7-21(20)27-22(15)23(29)28-9-3-8-24(14-28)12-19(13-30-24)31-18-5-2-4-16(25)10-18/h2,4-7,10-11,19,27H,3,8-9,12-14H2,1H3/t19-,24-/m1/s1
InChIKeyOEUOKUREDVFQBK-NTKDMRAZSA-N
MW442.92 g/mol
LogP5.11
Rot. Bonds3

About [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone

[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone (PubChem CID 155986949) has the molecular formula C24H24ClFN2O3 and a molecular weight of 442.92 g/mol. Its IUPAC name is [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
PubChem CID155986949
Molecular FormulaC24H24ClFN2O3
Molecular Weight442.92 g/mol
Exact Mass442.15
IUPAC Name[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
SMILESCc1c(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(Cl)c4)CO3)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C24H24ClFN2O3/c1-15-20-11-17(26)6-7-21(20)27-22(15)23(29)28-9-3-8-24(14-28)12-19(13-30-24)31-18-5-2-4-16(25)10-18/h2,4-7,10-11,19,27H,3,8-9,12-14H2,1H3/t19-,24-/m1/s1
InChIKeyOEUOKUREDVFQBK-NTKDMRAZSA-N
XLogP5.11
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.92
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone (CID 155986949) is [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone is Cc1c(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(Cl)c4)CO3)C2)[nH]c2ccc(F)cc12.
What is the InChIKey of [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The InChIKey is OEUOKUREDVFQBK-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H24ClFN2O3/c1-15-20-11-17(26)6-7-21(20)27-22(15)23(29)28-9-3-8-24(14-28)12-19(13-30-24)31-18-5-2-4-16(25)10-18/h2,4-7,10-11,19,27H,3,8-9,12-14H2,1H3/t19-,24-/m1/s1.
What are the key properties of [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone has a molecular weight of 442.92 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 155986949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).