N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

C19H16ClN3O6 — CID 39964401

IUPACN-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C19H16ClN3O6/c1-28-13-6-4-12(5-7-13)23-18(26)17(25)22(19(23)27)10-16(24)21-11-3-8-15(29-2)14(20)9-11/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyZFHSOSJPQJHUAL-UHFFFAOYSA-N
MW417.81 g/mol
LogP2.29
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 39964401) has the molecular formula C19H16ClN3O6 and a molecular weight of 417.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID39964401
Molecular FormulaC19H16ClN3O6
Molecular Weight417.81 g/mol
Exact Mass417.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C19H16ClN3O6/c1-28-13-6-4-12(5-7-13)23-18(26)17(25)22(19(23)27)10-16(24)21-11-3-8-15(29-2)14(20)9-11/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyZFHSOSJPQJHUAL-UHFFFAOYSA-N
XLogP2.29
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.81
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7491692
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888566
2-[(3aS,6aS)-5-(4-methoxyphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 98175436
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113201377
N-(3-chloro-4-methoxyphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 5111321
N-(3-chloro-4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide
CID 53000122
N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 124553338
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 4062255
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491808
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201726
N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888555

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 39964401) is N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZFHSOSJPQJHUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O6/c1-28-13-6-4-12(5-7-13)23-18(26)17(25)22(19(23)27)10-16(24)21-11-3-8-15(29-2)14(20)9-11/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 417.81 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 39964401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).