N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide

C23H22F3N3O3 — CID 154851475

IUPACN-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1C(F)(F)F
InChIInChI=1S/C23H22F3N3O3/c1-14-7-8-16(12-18(14)23(24,25)26)19(30)27-13-15-5-4-6-17(11-15)29-20(31)22(28-21(29)32)9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,27,30)(H,28,32)
InChIKeyCQIQKPXFWJMCHM-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.31
Rot. Bonds4

About N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide

N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide (PubChem CID 154851475) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide
PubChem CID154851475
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC NameN-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1C(F)(F)F
InChIInChI=1S/C23H22F3N3O3/c1-14-7-8-16(12-18(14)23(24,25)26)19(30)27-13-15-5-4-6-17(11-15)29-20(31)22(28-21(29)32)9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,27,30)(H,28,32)
InChIKeyCQIQKPXFWJMCHM-UHFFFAOYSA-N
XLogP4.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide (CID 154851475) is N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide is Cc1ccc(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)cc1C(F)(F)F.
What is the InChIKey of N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is CQIQKPXFWJMCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-14-7-8-16(12-18(14)23(24,25)26)19(30)27-13-15-5-4-6-17(11-15)29-20(31)22(28-21(29)32)9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,27,30)(H,28,32).
What are the key properties of N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide?
N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 445.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)phenyl]methyl]-4-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 154851475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).