N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

C15H14ClN3O5 — CID 51139615

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O
InChIInChI=1S/C15H14ClN3O5/c1-3-6-18-13(21)14(22)19(15(18)23)8-12(20)17-10-7-9(16)4-5-11(10)24-2/h3-5,7H,1,6,8H2,2H3,(H,17,20)
InChIKeyYLZUHPRCSQIBOY-UHFFFAOYSA-N
MW351.75 g/mol
LogP1.26
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (PubChem CID 51139615) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
PubChem CID51139615
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
SMILESC=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O
InChIInChI=1S/C15H14ClN3O5/c1-3-6-18-13(21)14(22)19(15(18)23)8-12(20)17-10-7-9(16)4-5-11(10)24-2/h3-5,7H,1,6,8H2,2H3,(H,17,20)
InChIKeyYLZUHPRCSQIBOY-UHFFFAOYSA-N
XLogP1.26
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800623
N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807414
N-(5-chloro-2-methoxyphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201914
N-(5-acetamido-2-methoxyphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342184
N-(3,4-diethoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807374
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26094914
N-(5-chloro-2-methoxyphenyl)-2-[(1S,2R,6S,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 124716529
N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2205365
N-(2-methyl-4-propan-2-yloxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51129731
2-[3-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 98600066
N-(5-acetamido-2-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8889133

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide (CID 51139615) is N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)ccc2OC)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
The InChIKey is YLZUHPRCSQIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-3-6-18-13(21)14(22)19(15(18)23)8-12(20)17-10-7-9(16)4-5-11(10)24-2/h3-5,7H,1,6,8H2,2H3,(H,17,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide has a molecular weight of 351.75 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 51139615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).