N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

C20H19ClFN3O4 — CID 42554438

IUPACN-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClFN3O4/c1-29-11-10-24-17(12-18(26)23-15-6-2-13(21)3-7-15)19(27)25(20(24)28)16-8-4-14(22)5-9-16/h2-9,17H,10-12H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyDDHCBVNIBYCJIX-QGZVFWFLSA-N
MW419.84 g/mol
LogP3.29
Rot. Bonds7

About N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide

N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 42554438) has the molecular formula C20H19ClFN3O4 and a molecular weight of 419.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID42554438
Molecular FormulaC20H19ClFN3O4
Molecular Weight419.84 g/mol
Exact Mass419.10
IUPAC NameN-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClFN3O4/c1-29-11-10-24-17(12-18(26)23-15-6-2-13(21)3-7-15)19(27)25(20(24)28)16-8-4-14(22)5-9-16/h2-9,17H,10-12H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyDDHCBVNIBYCJIX-QGZVFWFLSA-N
XLogP3.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.84
LogP ≤ 53.29
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

methyl 4-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41001903
2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7324044
N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92666411
2-[(4R)-1-(4-fluorophenyl)-3-(3-methoxypropyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 2217750
N-ethyl-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 2236087
N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 1303497
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]acetamide
CID 4918768
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990
N-(3-fluorophenyl)-2-[(4R)-3-(2-methoxyethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 7340940
N-(4-ethoxyphenyl)-2-[(4R)-3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7324051
methyl 4-[[2-[(4R)-1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41263517
ethyl 3-[[2-[(4R)-1-(4-chlorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41284875

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 42554438) is N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is COCCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is DDHCBVNIBYCJIX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19ClFN3O4/c1-29-11-10-24-17(12-18(26)23-15-6-2-13(21)3-7-15)19(27)25(20(24)28)16-8-4-14(22)5-9-16/h2-9,17H,10-12H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-chlorophenyl)-2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 419.84 g/mol, XLogP of 3.29, 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-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 42554438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).