1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione

C23H20ClF3N4O3 — CID 178098942

IUPAC1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc(-c3ccc(N4C(=O)N(CC(F)(F)F)CC45CC5)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C23H20ClF3N4O3/c24-19-16(2-1-3-17(19)30-11-8-18(32)28-20(30)33)14-4-6-15(7-5-14)31-21(34)29(13-23(25,26)27)12-22(31)9-10-22/h1-7H,8-13H2,(H,28,32,33)
InChIKeyGZICDSBVMWBDBX-UHFFFAOYSA-N
MW492.89 g/mol
LogP4.79
Rot. Bonds4

About 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 178098942) has the molecular formula C23H20ClF3N4O3 and a molecular weight of 492.89 g/mol. Its IUPAC name is 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID178098942
Molecular FormulaC23H20ClF3N4O3
Molecular Weight492.89 g/mol
Exact Mass492.12
IUPAC Name1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc(-c3ccc(N4C(=O)N(CC(F)(F)F)CC45CC5)cc3)c2Cl)C(=O)N1
InChIInChI=1S/C23H20ClF3N4O3/c24-19-16(2-1-3-17(19)30-11-8-18(32)28-20(30)33)14-4-6-15(7-5-14)31-21(34)29(13-23(25,26)27)12-22(31)9-10-22/h1-7H,8-13H2,(H,28,32,33)
InChIKeyGZICDSBVMWBDBX-UHFFFAOYSA-N
XLogP4.79
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione (CID 178098942) is 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cccc(-c3ccc(N4C(=O)N(CC(F)(F)F)CC45CC5)cc3)c2Cl)C(=O)N1.
What is the InChIKey of 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is GZICDSBVMWBDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O3/c24-19-16(2-1-3-17(19)30-11-8-18(32)28-20(30)33)14-4-6-15(7-5-14)31-21(34)29(13-23(25,26)27)12-22(31)9-10-22/h1-7H,8-13H2,(H,28,32,33).
What are the key properties of 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 492.89 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-[4-[5-oxo-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-4-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178098942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).