N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide

C23H19BrN4O4 — CID 56506181

IUPACN-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1=O
InChIInChI=1S/C23H19BrN4O4/c1-23(19-4-2-3-13-25-19)21(30)28(22(31)27-23)14-20(29)26-16-7-11-18(12-8-16)32-17-9-5-15(24)6-10-17/h2-13H,14H2,1H3,(H,26,29)(H,27,31)
InChIKeyAZCYJQTZLSCFJX-UHFFFAOYSA-N
MW495.33 g/mol
LogP4.04
Rot. Bonds6

About N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide

N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide (PubChem CID 56506181) has the molecular formula C23H19BrN4O4 and a molecular weight of 495.33 g/mol. Its IUPAC name is N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
PubChem CID56506181
Molecular FormulaC23H19BrN4O4
Molecular Weight495.33 g/mol
Exact Mass494.06
IUPAC NameN-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
SMILESCC1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1=O
InChIInChI=1S/C23H19BrN4O4/c1-23(19-4-2-3-13-25-19)21(30)28(22(31)27-23)14-20(29)26-16-7-11-18(12-8-16)32-17-9-5-15(24)6-10-17/h2-13H,14H2,1H3,(H,26,29)(H,27,31)
InChIKeyAZCYJQTZLSCFJX-UHFFFAOYSA-N
XLogP4.04
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 56504885
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 42964194
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 7269459
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 25436664
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 3965161
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 17445056
N-(4-acetamidophenyl)-2-[(4R)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92786642
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
N-(2,5-dichlorophenyl)-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide
CID 56500870
4-[[2-[(4S)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 40810147
N-(2-chloro-4-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]acetamide
CID 97021769

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide (CID 56506181) is N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide is CC1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)C1=O.
What is the InChIKey of N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is AZCYJQTZLSCFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O4/c1-23(19-4-2-3-13-25-19)21(30)28(22(31)27-23)14-20(29)26-16-7-11-18(12-8-16)32-17-9-5-15(24)6-10-17/h2-13H,14H2,1H3,(H,26,29)(H,27,31).
What are the key properties of N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide?
N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 495.33 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenoxy)phenyl]-2-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 56506181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).