N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

C20H19ClFN3O3 — CID 2703713

IUPACN-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C20H19ClFN3O3/c1-2-10-20(13-6-4-3-5-7-13)18(27)25(19(28)24-20)12-17(26)23-16-9-8-14(22)11-15(16)21/h3-9,11H,2,10,12H2,1H3,(H,23,26)(H,24,28)/t20-/m0/s1
InChIKeyGSRBEBUGYXEZMR-FQEVSTJZSA-N
MW403.84 g/mol
LogP3.66
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (PubChem CID 2703713) has the molecular formula C20H19ClFN3O3 and a molecular weight of 403.84 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
PubChem CID2703713
Molecular FormulaC20H19ClFN3O3
Molecular Weight403.84 g/mol
Exact Mass403.11
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C20H19ClFN3O3/c1-2-10-20(13-6-4-3-5-7-13)18(27)25(19(28)24-20)12-17(26)23-16-9-8-14(22)11-15(16)21/h3-9,11H,2,10,12H2,1H3,(H,23,26)(H,24,28)/t20-/m0/s1
InChIKeyGSRBEBUGYXEZMR-FQEVSTJZSA-N
XLogP3.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
N-(2-chloro-5-nitrophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703755
N-(2-bromo-4-methylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2161530
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2582755
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 24566026
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24567519
N-(2-chloro-4-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 97021769
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7622152
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (CID 2703713) is N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The InChIKey is GSRBEBUGYXEZMR-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19ClFN3O3/c1-2-10-20(13-6-4-3-5-7-13)18(27)25(19(28)24-20)12-17(26)23-16-9-8-14(22)11-15(16)21/h3-9,11H,2,10,12H2,1H3,(H,23,26)(H,24,28)/t20-/m0/s1.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide has a molecular weight of 403.84 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2703713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).