2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide

C21H22FN3O5 — CID 8001798

IUPAC2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC
InChIInChI=1S/C21H22FN3O5/c1-21(11-13-4-9-16(29-2)17(10-13)30-3)19(27)25(20(28)24-21)12-18(26)23-15-7-5-14(22)6-8-15/h4-10H,11-12H2,1-3H3,(H,23,26)(H,24,28)/t21-/m1/s1
InChIKeyFQTBPVSTFUAPDV-OAQYLSRUSA-N
MW415.42 g/mol
LogP2.33
Rot. Bonds7

About 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 8001798) has the molecular formula C21H22FN3O5 and a molecular weight of 415.42 g/mol. Its IUPAC name is 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID8001798
Molecular FormulaC21H22FN3O5
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCOc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC
InChIInChI=1S/C21H22FN3O5/c1-21(11-13-4-9-16(29-2)17(10-13)30-3)19(27)25(20(28)24-21)12-18(26)23-15-7-5-14(22)6-8-15/h4-10H,11-12H2,1-3H3,(H,23,26)(H,24,28)/t21-/m1/s1
InChIKeyFQTBPVSTFUAPDV-OAQYLSRUSA-N
XLogP2.33
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41079805
2-[4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567760
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 7566638
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
N-(4-ethoxyphenyl)-2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7566766
N-(3,5-difluorophenyl)-2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24571527
N-(4-acetylphenyl)-2-[(4S)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2620124
2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7566379
N-(3,4-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622661
2-[(4R)-4-(3,4-dimethoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 2612679
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9486373
2-[(4R)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 97072373

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 8001798) is 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide is COc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1OC.
What is the InChIKey of 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is FQTBPVSTFUAPDV-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22FN3O5/c1-21(11-13-4-9-16(29-2)17(10-13)30-3)19(27)25(20(28)24-21)12-18(26)23-15-7-5-14(22)6-8-15/h4-10H,11-12H2,1-3H3,(H,23,26)(H,24,28)/t21-/m1/s1.
What are the key properties of 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 415.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-[(3,4-dimethoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8001798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).