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

C19H16Cl3N3O3 — CID 2455847

IUPAC2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)[C@H]2C)cc1
InChIInChI=1S/C19H16Cl3N3O3/c1-10-3-5-12(6-4-10)25-11(2)18(27)24(19(25)28)9-17(26)23-16-8-14(21)13(20)7-15(16)22/h3-8,11H,9H2,1-2H3,(H,23,26)/t11-/m1/s1
InChIKeyOGOWXQBNXDMXFV-LLVKDONJSA-N
MW440.71 g/mol
LogP4.75
Rot. Bonds4

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

2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 2455847) has the molecular formula C19H16Cl3N3O3 and a molecular weight of 440.71 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID2455847
Molecular FormulaC19H16Cl3N3O3
Molecular Weight440.71 g/mol
Exact Mass439.03
IUPAC Name2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)[C@H]2C)cc1
InChIInChI=1S/C19H16Cl3N3O3/c1-10-3-5-12(6-4-10)25-11(2)18(27)24(19(25)28)9-17(26)23-16-8-14(21)13(20)7-15(16)22/h3-8,11H,9H2,1-2H3,(H,23,26)/t11-/m1/s1
InChIKeyOGOWXQBNXDMXFV-LLVKDONJSA-N
XLogP4.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.71
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4963894
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 9042802
N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51182666
N-(3-chloro-4-fluorophenyl)-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7870174
N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51639717
N-(2,4-dimethoxyphenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4878626
N-(3,4-difluorophenyl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 18275689
N-carbamoyl-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3678358
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 40781201
N-(2,4-difluorophenyl)-2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51611036
2-[[2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 40987532
N-(1,3-benzodioxol-5-yl)-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4799354

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide (CID 2455847) is 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is Cc1ccc(N2C(=O)N(CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)[C@H]2C)cc1.
What is the InChIKey of 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is OGOWXQBNXDMXFV-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16Cl3N3O3/c1-10-3-5-12(6-4-10)25-11(2)18(27)24(19(25)28)9-17(26)23-16-8-14(21)13(20)7-15(16)22/h3-8,11H,9H2,1-2H3,(H,23,26)/t11-/m1/s1.
What are the key properties of 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 440.71 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 2455847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).