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

C18H13ClFN3O3 — CID 11509035

IUPAC(5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m1/s1
InChIKeyCNUCYIDHDPTDOD-GOSISDBHSA-N
MW373.77 g/mol
LogP2.17
Rot. Bonds3

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

(5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 11509035) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID11509035
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC Name(5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m1/s1
InChIKeyCNUCYIDHDPTDOD-GOSISDBHSA-N
XLogP2.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.17
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 (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 11509035) is (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is CNUCYIDHDPTDOD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m1/s1.
What are the key properties of (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
(5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 373.77 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 11509035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).