5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione

C32H48ClFN4O2 — CID 146493171

IUPAC5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CN(C3CC4(CCCCCCCCCCC4)C(F)CN3)C2)C1=O
InChIInChI=1S/C32H48ClFN4O2/c1-24(2)37-21-29(39)38(20-25-12-14-26(33)15-13-25)32(30(37)40)22-36(23-32)28-18-31(27(34)19-35-28)16-10-8-6-4-3-5-7-9-11-17-31/h12-15,24,27-28,35H,3-11,16-23H2,1-2H3
InChIKeyCKGLYKBWRMCPAM-UHFFFAOYSA-N
MW575.21 g/mol
LogP5.92
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione

5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 146493171) has the molecular formula C32H48ClFN4O2 and a molecular weight of 575.21 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
PubChem CID146493171
Molecular FormulaC32H48ClFN4O2
Molecular Weight575.21 g/mol
Exact Mass574.34
IUPAC Name5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CN(C3CC4(CCCCCCCCCCC4)C(F)CN3)C2)C1=O
InChIInChI=1S/C32H48ClFN4O2/c1-24(2)37-21-29(39)38(20-25-12-14-26(33)15-13-25)32(30(37)40)22-36(23-32)28-18-31(27(34)19-35-28)16-10-8-6-4-3-5-7-9-11-17-31/h12-15,24,27-28,35H,3-11,16-23H2,1-2H3
InChIKeyCKGLYKBWRMCPAM-UHFFFAOYSA-N
XLogP5.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.21
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 146493171) is 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione is CC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CN(C3CC4(CCCCCCCCCCC4)C(F)CN3)C2)C1=O.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The InChIKey is CKGLYKBWRMCPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48ClFN4O2/c1-24(2)37-21-29(39)38(20-25-12-14-26(33)15-13-25)32(30(37)40)22-36(23-32)28-18-31(27(34)19-35-28)16-10-8-6-4-3-5-7-9-11-17-31/h12-15,24,27-28,35H,3-11,16-23H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 575.21 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-(5-fluoro-3-azaspiro[5.11]heptadecan-2-yl)-8-propan-2-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 146493171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).