N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide

C22H22FN3O4 — CID 17488661

IUPACN-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CN2C(=O)C(C)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C22H22FN3O4/c1-14-21(29)25(22(30)26(14)19-9-7-18(23)8-10-19)13-20(28)17-5-3-16(4-6-17)11-12-24-15(2)27/h3-10,14H,11-13H2,1-2H3,(H,24,27)
InChIKeyQVVZSJVXKJSLPC-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.54
Rot. Bonds7

About N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide

N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide (PubChem CID 17488661) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
PubChem CID17488661
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC NameN-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CN2C(=O)C(C)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C22H22FN3O4/c1-14-21(29)25(22(30)26(14)19-9-7-18(23)8-10-19)13-20(28)17-5-3-16(4-6-17)11-12-24-15(2)27/h3-10,14H,11-13H2,1-2H3,(H,24,27)
InChIKeyQVVZSJVXKJSLPC-UHFFFAOYSA-N
XLogP2.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-fluoro-4-[2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
CID 52618242
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 17407367
N-benzyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51608700
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 46809674
N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide
CID 9397620
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 46810742
N-(2,4-difluorophenyl)-2-[(4R)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51611036
2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 51215529
N-[2-[4-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]ethyl]acetamide
CID 9438825
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methylimidazolidine-2,4-dione
CID 51075561
N-cyclohexyl-2-[(4S)-3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 40789882
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide (CID 17488661) is N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CN2C(=O)C(C)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide?
The InChIKey is QVVZSJVXKJSLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-14-21(29)25(22(30)26(14)19-9-7-18(23)8-10-19)13-20(28)17-5-3-16(4-6-17)11-12-24-15(2)27/h3-10,14H,11-13H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide has a molecular weight of 411.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 17488661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).