1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide

C23H23BrN4O4 — CID 55963786

IUPAC1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc1
InChIInChI=1S/C23H23BrN4O4/c24-16-4-2-15(3-5-16)23(11-1-12-23)21(31)27-18-8-6-17(7-9-18)26-19(29)10-13-28-20(30)14-25-22(28)32/h2-9H,1,10-14H2,(H,25,32)(H,26,29)(H,27,31)
InChIKeyXVAWBUPWRDXIAJ-UHFFFAOYSA-N
MW499.37 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide

1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide (PubChem CID 55963786) has the molecular formula C23H23BrN4O4 and a molecular weight of 499.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide
PubChem CID55963786
Molecular FormulaC23H23BrN4O4
Molecular Weight499.37 g/mol
Exact Mass498.09
IUPAC Name1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc1
InChIInChI=1S/C23H23BrN4O4/c24-16-4-2-15(3-5-16)23(11-1-12-23)21(31)27-18-8-6-17(7-9-18)26-19(29)10-13-28-20(30)14-25-22(28)32/h2-9H,1,10-14H2,(H,25,32)(H,26,29)(H,27,31)
InChIKeyXVAWBUPWRDXIAJ-UHFFFAOYSA-N
XLogP3.39
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.37
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-(4-bromophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 66488904
1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
CID 46568564
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide
CID 55963287
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid
CID 55924141
3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
CID 55965072
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
3-(3-but-3-ynyldiazirin-3-yl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]propanamide
CID 166423141
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 18291480

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide (CID 55963786) is 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide is O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide?
The InChIKey is XVAWBUPWRDXIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O4/c24-16-4-2-15(3-5-16)23(11-1-12-23)21(31)27-18-8-6-17(7-9-18)26-19(29)10-13-28-20(30)14-25-22(28)32/h2-9H,1,10-14H2,(H,25,32)(H,26,29)(H,27,31).
What are the key properties of 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide?
1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide has a molecular weight of 499.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 55963786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).