3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C16H14FN3O2 — CID 82148999

IUPAC3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESNc1ccc(CN2C(=O)NC(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C16H14FN3O2/c17-12-5-3-11(4-6-12)14-15(21)20(16(22)19-14)9-10-1-7-13(18)8-2-10/h1-8,14H,9,18H2,(H,19,22)
InChIKeyIOBIRBBHUACVJI-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.20
Rot. Bonds3

About 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 82148999) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID82148999
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESNc1ccc(CN2C(=O)NC(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C16H14FN3O2/c17-12-5-3-11(4-6-12)14-15(21)20(16(22)19-14)9-10-1-7-13(18)8-2-10/h1-8,14H,9,18H2,(H,19,22)
InChIKeyIOBIRBBHUACVJI-UHFFFAOYSA-N
XLogP2.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573205
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148274
2-[(4-aminophenyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 60877631
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
4-[(4-fluorophenyl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5233989
3-(2-amino-2-methylpropyl)-5-(4-ethylphenyl)imidazolidine-2,4-dione
CID 82148514
(3aR,4S,7S,7aR)-2-[(4-fluorophenyl)methyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11890761
3-[(2,6-dichlorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573203
(15R,19R)-17-[(4-fluorophenyl)methyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1100981
[[4-[(3aS,4R,8aS,8bR)-2-[(4-fluorophenyl)methyl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]phenyl]-aminomethylidene]azanium
CID 5288257
2-[(4-fluorophenyl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42923851

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 82148999) is 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is Nc1ccc(CN2C(=O)NC(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is IOBIRBBHUACVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-12-5-3-11(4-6-12)14-15(21)20(16(22)19-14)9-10-1-7-13(18)8-2-10/h1-8,14H,9,18H2,(H,19,22).
What are the key properties of 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 299.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82148999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).