3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H20F2N2O3 — CID 94385394

IUPAC3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C[C@@H](O)c2ccc(F)cc2F)C(=O)C12CCCCC2
InChIInChI=1S/C17H20F2N2O3/c1-20-16(24)21(15(23)17(20)7-3-2-4-8-17)10-14(22)12-6-5-11(18)9-13(12)19/h5-6,9,14,22H,2-4,7-8,10H2,1H3/t14-/m1/s1
InChIKeyGJGOBXCZTANUCX-CQSZACIVSA-N
MW338.35 g/mol
LogP2.60
Rot. Bonds3

About 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 94385394) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID94385394
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C[C@@H](O)c2ccc(F)cc2F)C(=O)C12CCCCC2
InChIInChI=1S/C17H20F2N2O3/c1-20-16(24)21(15(23)17(20)7-3-2-4-8-17)10-14(22)12-6-5-11(18)9-13(12)19/h5-6,9,14,22H,2-4,7-8,10H2,1H3/t14-/m1/s1
InChIKeyGJGOBXCZTANUCX-CQSZACIVSA-N
XLogP2.60
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 94385394) is 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(C[C@@H](O)c2ccc(F)cc2F)C(=O)C12CCCCC2.
What is the InChIKey of 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GJGOBXCZTANUCX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-20-16(24)21(15(23)17(20)7-3-2-4-8-17)10-14(22)12-6-5-11(18)9-13(12)19/h5-6,9,14,22H,2-4,7-8,10H2,1H3/t14-/m1/s1.
What are the key properties of 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 338.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 94385394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).