2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C21H19F3N4O4 — CID 40987532

IUPAC2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C(=O)[C@H]2C)cc1
InChIInChI=1S/C21H19F3N4O4/c1-11-3-5-13(6-4-11)28-12(2)20(31)27(21(28)32)10-17(30)25-9-16(29)26-15-8-7-14(22)18(23)19(15)24/h3-8,12H,9-10H2,1-2H3,(H,25,30)(H,26,29)/t12-/m1/s1
InChIKeyWNZLEJDTWNSXJL-GFCCVEGCSA-N
MW448.40 g/mol
LogP2.32
Rot. Bonds6

About 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 40987532) has the molecular formula C21H19F3N4O4 and a molecular weight of 448.40 g/mol. Its IUPAC name is 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID40987532
Molecular FormulaC21H19F3N4O4
Molecular Weight448.40 g/mol
Exact Mass448.14
IUPAC Name2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C(=O)[C@H]2C)cc1
InChIInChI=1S/C21H19F3N4O4/c1-11-3-5-13(6-4-11)28-12(2)20(31)27(21(28)32)10-17(30)25-9-16(29)26-15-8-7-14(22)18(23)19(15)24/h3-8,12H,9-10H2,1-2H3,(H,25,30)(H,26,29)/t12-/m1/s1
InChIKeyWNZLEJDTWNSXJL-GFCCVEGCSA-N
XLogP2.32
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18275689
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 9042802
N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51639717
N-(2-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4963894
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7870174
N-(2,4-difluorophenyl)-2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51611036
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 2455847
N-(2,4-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4878626
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55365492
N-carbamoyl-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3678358
N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51182666
N-cyclohexyl-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2439184

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 40987532) is 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is Cc1ccc(N2C(=O)N(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C(=O)[C@H]2C)cc1.
What is the InChIKey of 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is WNZLEJDTWNSXJL-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H19F3N4O4/c1-11-3-5-13(6-4-11)28-12(2)20(31)27(21(28)32)10-17(30)25-9-16(29)26-15-8-7-14(22)18(23)19(15)24/h3-8,12H,9-10H2,1-2H3,(H,25,30)(H,26,29)/t12-/m1/s1.
What are the key properties of 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 448.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 40987532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).