N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

C21H21Cl2N3O5 — CID 55665529

IUPACN-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C21H21Cl2N3O5/c1-12(27)24-14-4-6-16(7-5-14)31-11-15(28)10-26-19(29)21(2,25-20(26)30)17-8-3-13(22)9-18(17)23/h3-9,15,28H,10-11H2,1-2H3,(H,24,27)(H,25,30)
InChIKeySXFBMXOKEMAZAO-UHFFFAOYSA-N
MW466.32 g/mol
LogP3.16
Rot. Bonds7

About N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide

N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 55665529) has the molecular formula C21H21Cl2N3O5 and a molecular weight of 466.32 g/mol. Its IUPAC name is N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
PubChem CID55665529
Molecular FormulaC21H21Cl2N3O5
Molecular Weight466.32 g/mol
Exact Mass465.09
IUPAC NameN-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCC(O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C21H21Cl2N3O5/c1-12(27)24-14-4-6-16(7-5-14)31-11-15(28)10-26-19(29)21(2,25-20(26)30)17-8-3-13(22)9-18(17)23/h3-9,15,28H,10-11H2,1-2H3,(H,24,27)(H,25,30)
InChIKeySXFBMXOKEMAZAO-UHFFFAOYSA-N
XLogP3.16
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
CID 26715930
N-[4-[(2R)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725545
N-[4-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropoxy]phenyl]acetamide
CID 51725544
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671
methyl 4-[3-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]benzoate
CID 47094642
3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 51954629
5-(2,4-dichlorophenyl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556171
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 75671649
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704475

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide (CID 55665529) is N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCC(O)CN2C(=O)NC(C)(c3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
The InChIKey is SXFBMXOKEMAZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O5/c1-12(27)24-14-4-6-16(7-5-14)31-11-15(28)10-26-19(29)21(2,25-20(26)30)17-8-3-13(22)9-18(17)23/h3-9,15,28H,10-11H2,1-2H3,(H,24,27)(H,25,30).
What are the key properties of N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide?
N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 466.32 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 55665529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).