1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C22H21ClFN5O5 — CID 10174309

IUPAC1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCOC1CC(C(=O)Nc2ccc(N3C(=O)CNC3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H21ClFN5O5/c1-34-15-9-18(28(11-15)22(33)26-13-4-2-12(23)3-5-13)20(31)27-17-7-6-14(8-16(17)24)29-19(30)10-25-21(29)32/h2-8,15,18H,9-11H2,1H3,(H,25,32)(H,26,33)(H,27,31)
InChIKeyCJQQREQFTASKPO-UHFFFAOYSA-N
MW489.89 g/mol
LogP2.80
Rot. Bonds5

About 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 10174309) has the molecular formula C22H21ClFN5O5 and a molecular weight of 489.89 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID10174309
Molecular FormulaC22H21ClFN5O5
Molecular Weight489.89 g/mol
Exact Mass489.12
IUPAC Name1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCOC1CC(C(=O)Nc2ccc(N3C(=O)CNC3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H21ClFN5O5/c1-34-15-9-18(28(11-15)22(33)26-13-4-2-12(23)3-5-13)20(31)27-17-7-6-14(8-16(17)24)29-19(30)10-25-21(29)32/h2-8,15,18H,9-11H2,1H3,(H,25,32)(H,26,33)(H,27,31)
InChIKeyCJQQREQFTASKPO-UHFFFAOYSA-N
XLogP2.80
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.89
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 10174309) is 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is COC1CC(C(=O)Nc2ccc(N3C(=O)CNC3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is CJQQREQFTASKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O5/c1-34-15-9-18(28(11-15)22(33)26-13-4-2-12(23)3-5-13)20(31)27-17-7-6-14(8-16(17)24)29-19(30)10-25-21(29)32/h2-8,15,18H,9-11H2,1H3,(H,25,32)(H,26,33)(H,27,31).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 489.89 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-[4-(2,5-dioxoimidazolidin-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 10174309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).