2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide

C18H13BrFN3O4 — CID 4793539

IUPAC2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H13BrFN3O4/c19-12-6-7-14(13(20)8-12)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChIKeyBWVXRWHPLAUATE-UHFFFAOYSA-N
MW434.22 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide

2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 4793539) has the molecular formula C18H13BrFN3O4 and a molecular weight of 434.22 g/mol. Its IUPAC name is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID4793539
Molecular FormulaC18H13BrFN3O4
Molecular Weight434.22 g/mol
Exact Mass433.01
IUPAC Name2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H13BrFN3O4/c19-12-6-7-14(13(20)8-12)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24)
InChIKeyBWVXRWHPLAUATE-UHFFFAOYSA-N
XLogP2.52
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 16552792
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 7819908
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-naphthalen-2-ylacetamide
CID 7819935
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933
2-[3-[(3-bromophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 10807143
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 7819549
2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 2465391
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide
CID 141415197
N-(4-bromo-2-fluorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 4786503
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-propylacetamide
CID 7819743

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide (CID 4793539) is 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide is O=C(CN1C(=O)C(=O)N(Cc2ccccc2)C1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is BWVXRWHPLAUATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O4/c19-12-6-7-14(13(20)8-12)21-15(24)10-23-17(26)16(25)22(18(23)27)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,24).
What are the key properties of 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide?
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 434.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 4793539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).