(2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione

C13H12ClFN2O2 — CID 146096853

IUPAC(2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESC[C@@H]1C[C@@]12NC(=O)C(c1ccc(F)c(Cl)c1)NC2=O
InChIInChI=1S/C13H12ClFN2O2/c1-6-5-13(6)12(19)16-10(11(18)17-13)7-2-3-9(15)8(14)4-7/h2-4,6,10H,5H2,1H3,(H,16,19)(H,17,18)/t6-,10?,13-/m1/s1
InChIKeyPSDCBXCQBRWOCC-HNJLFHPOSA-N
MW282.70 g/mol
LogP1.54
Rot. Bonds1

About (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione

(2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione (PubChem CID 146096853) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione.

Molecular Properties

Compound Name(2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
PubChem CID146096853
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name(2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESC[C@@H]1C[C@@]12NC(=O)C(c1ccc(F)c(Cl)c1)NC2=O
InChIInChI=1S/C13H12ClFN2O2/c1-6-5-13(6)12(19)16-10(11(18)17-13)7-2-3-9(15)8(14)4-7/h2-4,6,10H,5H2,1H3,(H,16,19)(H,17,18)/t6-,10?,13-/m1/s1
InChIKeyPSDCBXCQBRWOCC-HNJLFHPOSA-N
XLogP1.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The IUPAC name of (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione (CID 146096853) is (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione.
What is the SMILES notation for (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The canonical SMILES for (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione is C[C@@H]1C[C@@]12NC(=O)C(c1ccc(F)c(Cl)c1)NC2=O.
What is the InChIKey of (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The InChIKey is PSDCBXCQBRWOCC-HNJLFHPOSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-6-5-13(6)12(19)16-10(11(18)17-13)7-2-3-9(15)8(14)4-7/h2-4,6,10H,5H2,1H3,(H,16,19)(H,17,18)/t6-,10?,13-/m1/s1.
What are the key properties of (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione?
(2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione has a molecular weight of 282.70 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-6-(3-chloro-4-fluorophenyl)-2-methyl-4,7-diazaspiro[2.5]octane-5,8-dione is sourced from PubChem (CID 146096853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).