1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione

C15H15F2N3O3 — CID 72908605

IUPAC1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)C(=O)N1
InChIInChI=1S/C15H15F2N3O3/c16-15(17)5-7-19(8-6-15)13(22)10-1-3-11(4-2-10)20-9-12(21)18-14(20)23/h1-4H,5-9H2,(H,18,21,23)
InChIKeyXJXHGTGDFFVDDB-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.61
Rot. Bonds2

About 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione

1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione (PubChem CID 72908605) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
PubChem CID72908605
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC Name1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)C(=O)N1
InChIInChI=1S/C15H15F2N3O3/c16-15(17)5-7-19(8-6-15)13(22)10-1-3-11(4-2-10)20-9-12(21)18-14(20)23/h1-4H,5-9H2,(H,18,21,23)
InChIKeyXJXHGTGDFFVDDB-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)phenyl]imidazolidine-2,4-dione
CID 56895730
1-[4-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72881128
1-[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72847879
(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 97119960
1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 97141855
1-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 700885
1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72913392
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone
CID 144770880
1-[4-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 166624366
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
tert-butyl (2R)-2-[(2R)-4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 58181990

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione (CID 72908605) is 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione is O=C1CN(c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)C(=O)N1.
What is the InChIKey of 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is XJXHGTGDFFVDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c16-15(17)5-7-19(8-6-15)13(22)10-1-3-11(4-2-10)20-9-12(21)18-14(20)23/h1-4H,5-9H2,(H,18,21,23).
What are the key properties of 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione?
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 323.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72908605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).