2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C21H18F4N4O4 — CID 55516274

IUPAC2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C21H18F4N4O4/c1-20(12-6-8-13(22)9-7-12)18(32)29(19(33)28-20)10-16(30)27-15-5-3-2-4-14(15)17(31)26-11-21(23,24)25/h2-9H,10-11H2,1H3,(H,26,31)(H,27,30)(H,28,33)
InChIKeyDLHATXVDHYMMBH-UHFFFAOYSA-N
MW466.39 g/mol
LogP2.52
Rot. Bonds6

About 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55516274) has the molecular formula C21H18F4N4O4 and a molecular weight of 466.39 g/mol. Its IUPAC name is 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55516274
Molecular FormulaC21H18F4N4O4
Molecular Weight466.39 g/mol
Exact Mass466.13
IUPAC Name2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C21H18F4N4O4/c1-20(12-6-8-13(22)9-7-12)18(32)29(19(33)28-20)10-16(30)27-15-5-3-2-4-14(15)17(31)26-11-21(23,24)25/h2-9H,10-11H2,1H3,(H,26,31)(H,27,30)(H,28,33)
InChIKeyDLHATXVDHYMMBH-UHFFFAOYSA-N
XLogP2.52
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 55442567
N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41197783
N-(2-ethoxyphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46633986
N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4040539
N-(2-tert-butylphenyl)-2-[4-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 167763599
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41187564
2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26009625
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-(4-fluoro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865010
N-(4-fluoro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865016
N-(2-acetylphenyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180228

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 55516274) is 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CC1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DLHATXVDHYMMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O4/c1-20(12-6-8-13(22)9-7-12)18(32)29(19(33)28-20)10-16(30)27-15-5-3-2-4-14(15)17(31)26-11-21(23,24)25/h2-9H,10-11H2,1H3,(H,26,31)(H,27,30)(H,28,33).
What are the key properties of 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 466.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55516274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).