3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide

C21H18BrN5O4 — CID 55965072

IUPAC3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1
InChIInChI=1S/C21H18BrN5O4/c22-18-14-3-1-2-4-15(14)26-19(18)20(30)25-13-7-5-12(6-8-13)24-16(28)9-10-27-17(29)11-23-21(27)31/h1-8,26H,9-11H2,(H,23,31)(H,24,28)(H,25,30)
InChIKeyXYMGFFRYFSYTJC-UHFFFAOYSA-N
MW484.31 g/mol
LogP3.06
Rot. Bonds6

About 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide

3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide (PubChem CID 55965072) has the molecular formula C21H18BrN5O4 and a molecular weight of 484.31 g/mol. Its IUPAC name is 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
PubChem CID55965072
Molecular FormulaC21H18BrN5O4
Molecular Weight484.31 g/mol
Exact Mass483.05
IUPAC Name3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1
InChIInChI=1S/C21H18BrN5O4/c22-18-14-3-1-2-4-15(14)26-19(18)20(30)25-13-7-5-12(6-8-13)24-16(28)9-10-27-17(29)11-23-21(27)31/h1-8,26H,9-11H2,(H,23,31)(H,24,28)(H,25,30)
InChIKeyXYMGFFRYFSYTJC-UHFFFAOYSA-N
XLogP3.06
TPSA123.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.31
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
CID 47037294
3-bromo-N-(4-propylphenyl)-1H-indole-2-carboxamide
CID 112827860
3-(2,5-dioxoimidazolidin-1-yl)-N-[4-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]propanamide
CID 55732487
3-bromo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 60541866
1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide
CID 55963786
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 55732950
N-(4-bromophenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 66488904
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide
CID 55963287
ethyl (E)-3-[4-[(3-bromo-1H-indole-2-carbonyl)amino]phenyl]prop-2-enoate
CID 94136409
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
4-[[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]sulfamoyl]benzoic acid
CID 55924141
1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide
CID 55963403

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide (CID 55965072) is 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide is O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2[nH]c3ccccc3c2Br)cc1.
What is the InChIKey of 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide?
The InChIKey is XYMGFFRYFSYTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5O4/c22-18-14-3-1-2-4-15(14)26-19(18)20(30)25-13-7-5-12(6-8-13)24-16(28)9-10-27-17(29)11-23-21(27)31/h1-8,26H,9-11H2,(H,23,31)(H,24,28)(H,25,30).
What are the key properties of 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide?
3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 484.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55965072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).