N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide

C23H19ClFN3O3S — CID 4918768

IUPACN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
SMILESO=C(CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClFN3O3S/c24-15-3-7-17(8-4-15)26-21(29)14-20-22(30)28(18-9-5-16(25)6-10-18)23(31)27(20)12-11-19-2-1-13-32-19/h1-10,13,20H,11-12,14H2,(H,26,29)
InChIKeyOBVSEGCZXLKTBT-UHFFFAOYSA-N
MW471.94 g/mol
LogP4.95
Rot. Bonds7

About N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide

N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide (PubChem CID 4918768) has the molecular formula C23H19ClFN3O3S and a molecular weight of 471.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
PubChem CID4918768
Molecular FormulaC23H19ClFN3O3S
Molecular Weight471.94 g/mol
Exact Mass471.08
IUPAC NameN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
SMILESO=C(CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClFN3O3S/c24-15-3-7-17(8-4-15)26-21(29)14-20-22(30)28(18-9-5-16(25)6-10-18)23(31)27(20)12-11-19-2-1-13-32-19/h1-10,13,20H,11-12,14H2,(H,26,29)
InChIKeyOBVSEGCZXLKTBT-UHFFFAOYSA-N
XLogP4.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 54.95
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

N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 42554438
N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92666411
2-[(4S)-2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 40785156
methyl 4-[[2-[(4S)-1-(4-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 40774488
2-[1-(4-chlorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 17118493
N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 1303497
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990
2-[1-(4-chlorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 4918726
2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7324044
methyl 4-[[2-[(4R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263517
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4917871
2-[1-(3-chlorophenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-phenylacetamide
CID 19584942

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide (CID 4918768) is N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide is O=C(CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1cccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
The InChIKey is OBVSEGCZXLKTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O3S/c24-15-3-7-17(8-4-15)26-21(29)14-20-22(30)28(18-9-5-16(25)6-10-18)23(31)27(20)12-11-19-2-1-13-32-19/h1-10,13,20H,11-12,14H2,(H,26,29).
What are the key properties of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide?
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide has a molecular weight of 471.94 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 4918768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).