2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide

C25H23F5N4O5 — CID 144940497

IUPAC2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(N2C(=O)N(C)C(=O)C23CCN(C(=O)CNC(=O)c2cc(C(F)(F)F)ccc2F)CC3)cc1F
InChIInChI=1S/C25H23F5N4O5/c1-32-22(37)24(34(23(32)38)15-4-6-19(39-2)18(27)12-15)7-9-33(10-8-24)20(35)13-31-21(36)16-11-14(25(28,29)30)3-5-17(16)26/h3-6,11-12H,7-10,13H2,1-2H3,(H,31,36)
InChIKeyPAPWGXWBDXCXMJ-UHFFFAOYSA-N
MW554.47 g/mol
LogP3.18
Rot. Bonds5

About 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide

2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide (PubChem CID 144940497) has the molecular formula C25H23F5N4O5 and a molecular weight of 554.47 g/mol. Its IUPAC name is 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
PubChem CID144940497
Molecular FormulaC25H23F5N4O5
Molecular Weight554.47 g/mol
Exact Mass554.16
IUPAC Name2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(N2C(=O)N(C)C(=O)C23CCN(C(=O)CNC(=O)c2cc(C(F)(F)F)ccc2F)CC3)cc1F
InChIInChI=1S/C25H23F5N4O5/c1-32-22(37)24(34(23(32)38)15-4-6-19(39-2)18(27)12-15)7-9-33(10-8-24)20(35)13-31-21(36)16-11-14(25(28,29)30)3-5-17(16)26/h3-6,11-12H,7-10,13H2,1-2H3,(H,31,36)
InChIKeyPAPWGXWBDXCXMJ-UHFFFAOYSA-N
XLogP3.18
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide (CID 144940497) is 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide is COc1ccc(N2C(=O)N(C)C(=O)C23CCN(C(=O)CNC(=O)c2cc(C(F)(F)F)ccc2F)CC3)cc1F.
What is the InChIKey of 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is PAPWGXWBDXCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N4O5/c1-32-22(37)24(34(23(32)38)15-4-6-19(39-2)18(27)12-15)7-9-33(10-8-24)20(35)13-31-21(36)16-11-14(25(28,29)30)3-5-17(16)26/h3-6,11-12H,7-10,13H2,1-2H3,(H,31,36).
What are the key properties of 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide?
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 554.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 144940497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).