1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione

C24H23ClF2N4O4 — CID 178099037

About 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 178099037) has the molecular formula C24H23ClF2N4O4 and a molecular weight of 504.92 g/mol. Its IUPAC name is 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione
• PubChem CID: 178099037
• Molecular Formula: C24H23ClF2N4O4
• Molecular Weight: 504.92 g/mol
• Exact Mass: 504.14
• IUPAC Name: 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione
• SMILES: O=C1CCN(c2cccc(-c3ccc(N4C(=O)N(CC(F)F)CCC45COC5)cc3)c2Cl)C(=O)N1
• InChI: InChI=1S/C24H23ClF2N4O4/c25-21-17(2-1-3-18(21)30-10-8-20(32)28-22(30)33)15-4-6-16(7-5-15)31-23(34)29(12-19(26)27)11-9-24(31)13-35-14-24/h1-7,19H,8-14H2,(H,28,32,33)
• InChIKey: DAMOWCHNJXTWIU-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.92
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione?

The IUPAC name of 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione (CID 178099037) is 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cccc(-c3ccc(N4C(=O)N(CC(F)F)CCC45COC5)cc3)c2Cl)C(=O)N1.

What is the InChIKey of 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione?

The InChIKey is DAMOWCHNJXTWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N4O4/c25-21-17(2-1-3-18(21)30-10-8-20(32)28-22(30)33)15-4-6-16(7-5-15)31-23(34)29(12-19(26)27)11-9-24(31)13-35-14-24/h1-7,19H,8-14H2,(H,28,32,33).

What are the key properties of 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione?

1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 504.92 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-chloro-3-[4-[7-(2,2-difluoroethyl)-6-oxo-2-oxa-5,7-diazaspiro[3.5]nonan-5-yl]phenyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 178099037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).