2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

C20H19ClF3N3O — CID 11661494

IUPAC2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2Cl)CCC12CCCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C20H19ClF3N3O/c21-15-6-1-2-7-16(15)27-12-9-19(18(27)28)8-4-11-26(13-19)17-14(20(22,23)24)5-3-10-25-17/h1-3,5-7,10H,4,8-9,11-13H2
InChIKeyXNTCQIGXWRSJFE-UHFFFAOYSA-N
MW409.84 g/mol
LogP4.78
Rot. Bonds2

About 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one

2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11661494) has the molecular formula C20H19ClF3N3O and a molecular weight of 409.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11661494
Molecular FormulaC20H19ClF3N3O
Molecular Weight409.84 g/mol
Exact Mass409.12
IUPAC Name2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2Cl)CCC12CCCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C20H19ClF3N3O/c21-15-6-1-2-7-16(15)27-12-9-19(18(27)28)8-4-11-26(13-19)17-14(20(22,23)24)5-3-10-25-17/h1-3,5-7,10H,4,8-9,11-13H2
InChIKeyXNTCQIGXWRSJFE-UHFFFAOYSA-N
XLogP4.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one (CID 11661494) is 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2ccccc2Cl)CCC12CCCN(c1ncccc1C(F)(F)F)C2.
What is the InChIKey of 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is XNTCQIGXWRSJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O/c21-15-6-1-2-7-16(15)27-12-9-19(18(27)28)8-4-11-26(13-19)17-14(20(22,23)24)5-3-10-25-17/h1-3,5-7,10H,4,8-9,11-13H2.
What are the key properties of 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one?
2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 409.84 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11661494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).