N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H21Cl2N3O4 — CID 2540696

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1cccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3Cl)C2=O)c1
InChIInChI=1S/C21H21Cl2N3O4/c1-21(14-4-3-5-16(10-14)30-2)19(28)26(20(29)25-21)12-18(27)24-9-8-13-6-7-15(22)11-17(13)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,27)(H,25,29)/t21-/m0/s1
InChIKeyJWGNQTBZUTWMMQ-NRFANRHFSA-N
MW450.32 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2540696) has the molecular formula C21H21Cl2N3O4 and a molecular weight of 450.32 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2540696
Molecular FormulaC21H21Cl2N3O4
Molecular Weight450.32 g/mol
Exact Mass449.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1cccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3Cl)C2=O)c1
InChIInChI=1S/C21H21Cl2N3O4/c1-21(14-4-3-5-16(10-14)30-2)19(28)26(20(29)25-21)12-18(27)24-9-8-13-6-7-15(22)11-17(13)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,27)(H,25,29)/t21-/m0/s1
InChIKeyJWGNQTBZUTWMMQ-NRFANRHFSA-N
XLogP3.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 53.13
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

N-[2-(2,4-dichlorophenyl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 8005826
N-[2-(4-chlorophenyl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3945063
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2098354
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42942253
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2703067
methyl 4-[[2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]butanoate
CID 8570913
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 46810453
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4204330
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 6591160

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2540696) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1cccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3Cl)C2=O)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is JWGNQTBZUTWMMQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4/c1-21(14-4-3-5-16(10-14)30-2)19(28)26(20(29)25-21)12-18(27)24-9-8-13-6-7-15(22)11-17(13)23/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,27)(H,25,29)/t21-/m0/s1.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 450.32 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2540696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).