2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide

C19H17BrFN3O3 — CID 95787542

IUPAC2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2C(=O)N[C@H](c3cc(Br)ccc3F)C2=O)c1
InChIInChI=1S/C19H17BrFN3O3/c1-10-5-11(2)7-13(6-10)22-16(25)9-24-18(26)17(23-19(24)27)14-8-12(20)3-4-15(14)21/h3-8,17H,9H2,1-2H3,(H,22,25)(H,23,27)/t17-/m1/s1
InChIKeyUHJDBWBSJJKOKJ-QGZVFWFLSA-N
MW434.27 g/mol
LogP3.44
Rot. Bonds4

About 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide

2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 95787542) has the molecular formula C19H17BrFN3O3 and a molecular weight of 434.27 g/mol. Its IUPAC name is 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID95787542
Molecular FormulaC19H17BrFN3O3
Molecular Weight434.27 g/mol
Exact Mass433.04
IUPAC Name2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2C(=O)N[C@H](c3cc(Br)ccc3F)C2=O)c1
InChIInChI=1S/C19H17BrFN3O3/c1-10-5-11(2)7-13(6-10)22-16(25)9-24-18(26)17(23-19(24)27)14-8-12(20)3-4-15(14)21/h3-8,17H,9H2,1-2H3,(H,22,25)(H,23,27)/t17-/m1/s1
InChIKeyUHJDBWBSJJKOKJ-QGZVFWFLSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 53.44
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 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide (CID 95787542) is 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CN2C(=O)N[C@H](c3cc(Br)ccc3F)C2=O)c1.
What is the InChIKey of 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is UHJDBWBSJJKOKJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17BrFN3O3/c1-10-5-11(2)7-13(6-10)22-16(25)9-24-18(26)17(23-19(24)27)14-8-12(20)3-4-15(14)21/h3-8,17H,9H2,1-2H3,(H,22,25)(H,23,27)/t17-/m1/s1.
What are the key properties of 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 434.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(5-bromo-2-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 95787542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).