3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C18H23FN2O3 — CID 51933280

IUPAC3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1C[C@H](O)c1ccccc1F
InChIInChI=1S/C18H23FN2O3/c19-14-9-5-4-8-13(14)15(22)12-21-16(23)18(20-17(21)24)10-6-2-1-3-7-11-18/h4-5,8-9,15,22H,1-3,6-7,10-12H2,(H,20,24)/t15-/m0/s1
InChIKeyFNRBWFAGLNQOJH-HNNXBMFYSA-N
MW334.39 g/mol
LogP2.89
Rot. Bonds3

About 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 51933280) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID51933280
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1C[C@H](O)c1ccccc1F
InChIInChI=1S/C18H23FN2O3/c19-14-9-5-4-8-13(14)15(22)12-21-16(23)18(20-17(21)24)10-6-2-1-3-7-11-18/h4-5,8-9,15,22H,1-3,6-7,10-12H2,(H,20,24)/t15-/m0/s1
InChIKeyFNRBWFAGLNQOJH-HNNXBMFYSA-N
XLogP2.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
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-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 51933280) is 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1NC2(CCCCCCC2)C(=O)N1C[C@H](O)c1ccccc1F.
What is the InChIKey of 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is FNRBWFAGLNQOJH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-14-9-5-4-8-13(14)15(22)12-21-16(23)18(20-17(21)24)10-6-2-1-3-7-11-18/h4-5,8-9,15,22H,1-3,6-7,10-12H2,(H,20,24)/t15-/m0/s1.
What are the key properties of 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 334.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 51933280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).