2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C19H18BrN3O4 — CID 3948531

IUPAC2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)CN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C19H18BrN3O4/c1-12-3-8-16(27-2)15(9-12)21-17(24)10-23-18(25)11-22(19(23)26)14-6-4-13(20)5-7-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeySVQGUKYDJBQFOH-UHFFFAOYSA-N
MW432.27 g/mol
LogP3.17
Rot. Bonds5

About 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 3948531) has the molecular formula C19H18BrN3O4 and a molecular weight of 432.27 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID3948531
Molecular FormulaC19H18BrN3O4
Molecular Weight432.27 g/mol
Exact Mass431.05
IUPAC Name2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C(=O)CN(c2ccc(Br)cc2)C1=O
InChIInChI=1S/C19H18BrN3O4/c1-12-3-8-16(27-2)15(9-12)21-17(24)10-23-18(25)11-22(19(23)26)14-6-4-13(20)5-7-14/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeySVQGUKYDJBQFOH-UHFFFAOYSA-N
XLogP3.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3aR,6aS)-5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 98203695
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686607
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1383033
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 2127028
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 3948531) is 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN1C(=O)CN(c2ccc(Br)cc2)C1=O.
What is the InChIKey of 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is SVQGUKYDJBQFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4/c1-12-3-8-16(27-2)15(9-12)21-17(24)10-23-18(25)11-22(19(23)26)14-6-4-13(20)5-7-14/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 432.27 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 3948531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).