5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide

C25H19F4N3O3 — CID 166180357

IUPAC5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC1(c2cccc(CNC(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)c2)NC(=O)NC1=O
InChIInChI=1S/C25H19F4N3O3/c1-24(22(34)31-23(35)32-24)16-6-2-4-14(10-16)13-30-21(33)20-12-18(26)8-9-19(20)15-5-3-7-17(11-15)25(27,28)29/h2-12H,13H2,1H3,(H,30,33)(H2,31,32,34,35)
InChIKeyAEEBKPUHJLAILL-UHFFFAOYSA-N
MW485.44 g/mol
LogP4.50
Rot. Bonds5

About 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide

5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 166180357) has the molecular formula C25H19F4N3O3 and a molecular weight of 485.44 g/mol. Its IUPAC name is 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID166180357
Molecular FormulaC25H19F4N3O3
Molecular Weight485.44 g/mol
Exact Mass485.14
IUPAC Name5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC1(c2cccc(CNC(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)c2)NC(=O)NC1=O
InChIInChI=1S/C25H19F4N3O3/c1-24(22(34)31-23(35)32-24)16-6-2-4-14(10-16)13-30-21(33)20-12-18(26)8-9-19(20)15-5-3-7-17(11-15)25(27,28)29/h2-12H,13H2,1H3,(H,30,33)(H2,31,32,34,35)
InChIKeyAEEBKPUHJLAILL-UHFFFAOYSA-N
XLogP4.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 119429718
(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 30121383
N-[2-(ethylamino)ethyl]-5-fluoro-2-[3-(trifluoromethyl)phenyl]benzamide;hydrochloride
CID 119504852
5-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]benzamide
CID 112834460
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 120943802
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166186372
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
CID 162338446
1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-[3-(4-methylpyrimidin-2-yl)phenyl]urea
CID 166208148
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 55811816
6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397681
3-(3-but-3-ynyldiazirin-3-yl)-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]propanamide
CID 166409520

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide (CID 166180357) is 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide is CC1(c2cccc(CNC(=O)c3cc(F)ccc3-c3cccc(C(F)(F)F)c3)c2)NC(=O)NC1=O.
What is the InChIKey of 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AEEBKPUHJLAILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O3/c1-24(22(34)31-23(35)32-24)16-6-2-4-14(10-16)13-30-21(33)20-12-18(26)8-9-19(20)15-5-3-7-17(11-15)25(27,28)29/h2-12H,13H2,1H3,(H,30,33)(H2,31,32,34,35).
What are the key properties of 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide?
5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 485.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 166180357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).