methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate

C23H22Cl2N4O6 — CID 6990889

IUPACmethyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)N(c2cccc(Cl)c2)[C@H](n2oc(=O)n(-c3cccc(Cl)c3)c2=O)C1(C)C
InChIInChI=1S/C23H22Cl2N4O6/c1-23(2)19(29-21(32)28(22(33)35-29)17-9-5-7-15(25)13-17)27(16-8-4-6-14(24)12-16)20(31)26(23)11-10-18(30)34-3/h4-9,12-13,19H,10-11H2,1-3H3/t19-/m1/s1
InChIKeyDGTKTEXBDZVHLG-LJQANCHMSA-N
MW521.36 g/mol
LogP3.68
Rot. Bonds6

About methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate

methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate (PubChem CID 6990889) has the molecular formula C23H22Cl2N4O6 and a molecular weight of 521.36 g/mol. Its IUPAC name is methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate
PubChem CID6990889
Molecular FormulaC23H22Cl2N4O6
Molecular Weight521.36 g/mol
Exact Mass520.09
IUPAC Namemethyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate
SMILESCOC(=O)CCN1C(=O)N(c2cccc(Cl)c2)[C@H](n2oc(=O)n(-c3cccc(Cl)c3)c2=O)C1(C)C
InChIInChI=1S/C23H22Cl2N4O6/c1-23(2)19(29-21(32)28(22(33)35-29)17-9-5-7-15(25)13-17)27(16-8-4-6-14(24)12-16)20(31)26(23)11-10-18(30)34-3/h4-9,12-13,19H,10-11H2,1-3H3/t19-/m1/s1
InChIKeyDGTKTEXBDZVHLG-LJQANCHMSA-N
XLogP3.68
TPSA106.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate?
The IUPAC name of methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate (CID 6990889) is methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate is COC(=O)CCN1C(=O)N(c2cccc(Cl)c2)[C@H](n2oc(=O)n(-c3cccc(Cl)c3)c2=O)C1(C)C.
What is the InChIKey of methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate?
The InChIKey is DGTKTEXBDZVHLG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22Cl2N4O6/c1-23(2)19(29-21(32)28(22(33)35-29)17-9-5-7-15(25)13-17)27(16-8-4-6-14(24)12-16)20(31)26(23)11-10-18(30)34-3/h4-9,12-13,19H,10-11H2,1-3H3/t19-/m1/s1.
What are the key properties of methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate?
methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate has a molecular weight of 521.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4R)-3-(3-chlorophenyl)-4-[4-(3-chlorophenyl)-3,5-dioxo-1,2,4-oxadiazolidin-2-yl]-5,5-dimethyl-2-oxoimidazolidin-1-yl]propanoate is sourced from PubChem (CID 6990889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).