(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C19H16Cl2N2O4 — CID 7708848

IUPAC(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C19H16Cl2N2O4/c1-19(13-5-3-2-4-6-13)17(25)23(18(26)22-19)10-16(24)27-11-12-7-8-14(20)15(21)9-12/h2-9H,10-11H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyRVMQJBSHZKSZJF-LJQANCHMSA-N
MW407.25 g/mol
LogP3.50
Rot. Bonds5

About (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 7708848) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID7708848
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C19H16Cl2N2O4/c1-19(13-5-3-2-4-6-13)17(25)23(18(26)22-19)10-16(24)27-11-12-7-8-14(20)15(21)9-12/h2-9H,10-11H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyRVMQJBSHZKSZJF-LJQANCHMSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
(4-propan-2-ylphenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709406
(2,4,6-trichlorophenyl) 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55335215
(2-fluorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708875
(2,5-dimethylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708844
(4-fluorophenyl)methyl 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 84603716
(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708910
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7685076
methyl 2-methyl-5-[[2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxymethyl]furan-3-carboxylate
CID 7708581
[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708935
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214
(4-nitrophenyl)methyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710892

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 7708848) is (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is C[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCc2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is RVMQJBSHZKSZJF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c1-19(13-5-3-2-4-6-13)17(25)23(18(26)22-19)10-16(24)27-11-12-7-8-14(20)15(21)9-12/h2-9H,10-11H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
(3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 407.25 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 7708848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).