N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

C20H18ClN3O4 — CID 16546260

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1Cl
InChIInChI=1S/C20H18ClN3O4/c1-28-16-7-6-13(10-15(16)21)22-17(25)11-24-18(26)20(23-19(24)27)9-8-12-4-2-3-5-14(12)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyIJZCYRGJNOUIBJ-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.68
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 16546260) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
PubChem CID16546260
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1Cl
InChIInChI=1S/C20H18ClN3O4/c1-28-16-7-6-13(10-15(16)21)22-17(25)11-24-18(26)20(23-19(24)27)9-8-12-4-2-3-5-14(12)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyIJZCYRGJNOUIBJ-UHFFFAOYSA-N
XLogP2.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2702844
N-(3,4-dichlorophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4810149
N-(3-chloro-4-methylphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16559490
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 42898041
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 43027998
N-(3,4-difluorophenyl)-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680838
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(3-methoxyphenyl)acetamide
CID 2706003
N-(4-bromo-3-methylphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 16552825
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 49169528
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-ethylphenyl)acetamide
CID 16546281
3'-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18075337

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide (CID 16546260) is N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is IJZCYRGJNOUIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-28-16-7-6-13(10-15(16)21)22-17(25)11-24-18(26)20(23-19(24)27)9-8-12-4-2-3-5-14(12)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 399.83 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 16546260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).