N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C17H13BrFN3O3 — CID 60593281

IUPACN-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H13BrFN3O3/c18-12-5-6-14(13(19)7-12)21-16(24)11-3-1-10(2-4-11)9-22-15(23)8-20-17(22)25/h1-7H,8-9H2,(H,20,25)(H,21,24)
InChIKeyPFIOXFVMCIQSEP-UHFFFAOYSA-N
MW406.21 g/mol
LogP2.89
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 60593281) has the molecular formula C17H13BrFN3O3 and a molecular weight of 406.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID60593281
Molecular FormulaC17H13BrFN3O3
Molecular Weight406.21 g/mol
Exact Mass405.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H13BrFN3O3/c18-12-5-6-14(13(19)7-12)21-16(24)11-3-1-10(2-4-11)9-22-15(23)8-20-17(22)25/h1-7H,8-9H2,(H,20,25)(H,21,24)
InChIKeyPFIOXFVMCIQSEP-UHFFFAOYSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.21
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dibromophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 39166499
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34199236
N-[1-(4-bromophenyl)cyclopropyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 71883616
N-(4-acetamido-3-chlorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 25471176
N-(3-chloro-2-methylphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 34857655
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46770290
N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 26017430
N-(3,4-dimethoxyphenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 17430256
4-bromo-2-chloro-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzamide
CID 60509721
N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
CID 2991219

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 60593281) is N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(Nc1ccc(Br)cc1F)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is PFIOXFVMCIQSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O3/c18-12-5-6-14(13(19)7-12)21-16(24)11-3-1-10(2-4-11)9-22-15(23)8-20-17(22)25/h1-7H,8-9H2,(H,20,25)(H,21,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 406.21 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 60593281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).