5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

C24H16ClF2N3O3 — CID 11568959

IUPAC5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1
InChIInChI=1S/C24H16ClF2N3O3/c25-19-9-14(4-8-20(19)27)13-1-5-16(6-2-13)24(22(32)28-23(33)29-24)12-30-11-15-3-7-17(26)10-18(15)21(30)31/h1-10H,11-12H2,(H2,28,29,32,33)
InChIKeyOUQLMQQRWKDJMH-UHFFFAOYSA-N
MW467.86 g/mol
LogP3.98
Rot. Bonds4

About 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione

5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 11568959) has the molecular formula C24H16ClF2N3O3 and a molecular weight of 467.86 g/mol. Its IUPAC name is 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID11568959
Molecular FormulaC24H16ClF2N3O3
Molecular Weight467.86 g/mol
Exact Mass467.08
IUPAC Name5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1
InChIInChI=1S/C24H16ClF2N3O3/c25-19-9-14(4-8-20(19)27)13-1-5-16(6-2-13)24(22(32)28-23(33)29-24)12-30-11-15-3-7-17(26)10-18(15)21(30)31/h1-10H,11-12H2,(H2,28,29,32,33)
InChIKeyOUQLMQQRWKDJMH-UHFFFAOYSA-N
XLogP3.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.86
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 11568959) is 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(F)c(Cl)c3)cc2)N1.
What is the InChIKey of 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is OUQLMQQRWKDJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF2N3O3/c25-19-9-14(4-8-20(19)27)13-1-5-16(6-2-13)24(22(32)28-23(33)29-24)12-30-11-15-3-7-17(26)10-18(15)21(30)31/h1-10H,11-12H2,(H2,28,29,32,33).
What are the key properties of 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 467.86 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11568959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).