2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C18H21ClFN3O5S — CID 56517465

IUPAC2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21ClFN3O5S/c1-3-22(12-6-7-29(27,28)10-12)15(24)9-23-16(25)18(2,21-17(23)26)13-5-4-11(20)8-14(13)19/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,21,26)
InChIKeyAMAHTNLVVVKUEO-UHFFFAOYSA-N
MW445.90 g/mol
LogP1.28
Rot. Bonds5

About 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 56517465) has the molecular formula C18H21ClFN3O5S and a molecular weight of 445.90 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID56517465
Molecular FormulaC18H21ClFN3O5S
Molecular Weight445.90 g/mol
Exact Mass445.09
IUPAC Name2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H21ClFN3O5S/c1-3-22(12-6-7-29(27,28)10-12)15(24)9-23-16(25)18(2,21-17(23)26)13-5-4-11(20)8-14(13)19/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,21,26)
InChIKeyAMAHTNLVVVKUEO-UHFFFAOYSA-N
XLogP1.28
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 51.28
H-Bond Donors ≤ 51
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 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 56517465) is 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CN1C(=O)NC(C)(c2ccc(F)cc2Cl)C1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is AMAHTNLVVVKUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O5S/c1-3-22(12-6-7-29(27,28)10-12)15(24)9-23-16(25)18(2,21-17(23)26)13-5-4-11(20)8-14(13)19/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,21,26).
What are the key properties of 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 445.90 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 56517465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).