(5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione

C13H14ClFN2O2 — CID 7734535

IUPAC(5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C13H14ClFN2O2/c1-7(2)5-11-12(18)17(13(19)16-11)8-3-4-10(15)9(14)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyWPJKBNMAGHBMBD-NSHDSACASA-N
MW284.72 g/mol
LogP2.95
Rot. Bonds3

About (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 7734535) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID7734535
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name(5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(c2ccc(F)c(Cl)c2)C1=O
InChIInChI=1S/C13H14ClFN2O2/c1-7(2)5-11-12(18)17(13(19)16-11)8-3-4-10(15)9(14)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyWPJKBNMAGHBMBD-NSHDSACASA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 7734535) is (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(c2ccc(F)c(Cl)c2)C1=O.
What is the InChIKey of (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is WPJKBNMAGHBMBD-NSHDSACASA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-7(2)5-11-12(18)17(13(19)16-11)8-3-4-10(15)9(14)6-8/h3-4,6-7,11H,5H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 284.72 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(3-chloro-4-fluorophenyl)-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 7734535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).