4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide

C22H24F2N4O2 — CID 21428808

IUPAC4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H24F2N4O2/c23-17-3-1-16(2-4-17)20(29)25-11-14-27-12-9-22(10-13-27)21(30)26-15-28(22)19-7-5-18(24)6-8-19/h1-8H,9-15H2,(H,25,29)(H,26,30)
InChIKeyPONNEUGZCCWTAT-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.12
Rot. Bonds5

About 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide

4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide (PubChem CID 21428808) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
PubChem CID21428808
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H24F2N4O2/c23-17-3-1-16(2-4-17)20(29)25-11-14-27-12-9-22(10-13-27)21(30)26-15-28(22)19-7-5-18(24)6-8-19/h1-8H,9-15H2,(H,25,29)(H,26,30)
InChIKeyPONNEUGZCCWTAT-UHFFFAOYSA-N
XLogP2.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide (CID 21428808) is 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide is O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide?
The InChIKey is PONNEUGZCCWTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c23-17-3-1-16(2-4-17)20(29)25-11-14-27-12-9-22(10-13-27)21(30)26-15-28(22)19-7-5-18(24)6-8-19/h1-8H,9-15H2,(H,25,29)(H,26,30).
What are the key properties of 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide?
4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide is sourced from PubChem (CID 21428808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).