3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid

C20H18FN3O5 — CID 16958374

IUPAC3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid
SMILESO=C(O)CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C20H18FN3O5/c21-14-7-4-8-15(11-14)22-16(25)12-24-18(28)20(23-19(24)29,10-9-17(26)27)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,25)(H,23,29)(H,26,27)
InChIKeySHGWGLMMXSRXFO-UHFFFAOYSA-N
MW399.38 g/mol
LogP2.08
Rot. Bonds7

About 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid

3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid (PubChem CID 16958374) has the molecular formula C20H18FN3O5 and a molecular weight of 399.38 g/mol. Its IUPAC name is 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid
PubChem CID16958374
Molecular FormulaC20H18FN3O5
Molecular Weight399.38 g/mol
Exact Mass399.12
IUPAC Name3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid
SMILESO=C(O)CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C20H18FN3O5/c21-14-7-4-8-15(11-14)22-16(25)12-24-18(28)20(23-19(24)29,10-9-17(26)27)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,25)(H,23,29)(H,26,27)
InChIKeySHGWGLMMXSRXFO-UHFFFAOYSA-N
XLogP2.08
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7595557
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2544493
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663
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-(3-fluoro-4-methylphenyl)acetamide
CID 7242671
N-(2-chloro-4-fluorophenyl)-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703713
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
CID 24658435

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid (CID 16958374) is 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid is O=C(O)CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O.
What is the InChIKey of 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid?
The InChIKey is SHGWGLMMXSRXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5/c21-14-7-4-8-15(11-14)22-16(25)12-24-18(28)20(23-19(24)29,10-9-17(26)27)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,22,25)(H,23,29)(H,26,27).
What are the key properties of 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid?
3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid has a molecular weight of 399.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid is sourced from PubChem (CID 16958374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).