N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide

C25H22FN3O4 — CID 41002004

IUPACN-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
SMILESCOc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C25H22FN3O4/c1-33-21-9-5-6-17(14-21)16-28-22(15-23(30)27-19-12-10-18(26)11-13-19)24(31)29(25(28)32)20-7-3-2-4-8-20/h2-14,22H,15-16H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyORVAKIXRXMWIOG-JOCHJYFZSA-N
MW447.47 g/mol
LogP4.20
Rot. Bonds7

About N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide

N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide (PubChem CID 41002004) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
PubChem CID41002004
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC NameN-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
SMILESCOc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C25H22FN3O4/c1-33-21-9-5-6-17(14-21)16-28-22(15-23(30)27-19-12-10-18(26)11-13-19)24(31)29(25(28)32)20-7-3-2-4-8-20/h2-14,22H,15-16H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyORVAKIXRXMWIOG-JOCHJYFZSA-N
XLogP4.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.20
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-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41001950
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690485
2-[3-[(3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 4602426
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276958
N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001956
2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 92690482
N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774460
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775848
2-[3-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 3371767
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001990
ethyl 3-[[2-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774526
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 4568240

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide (CID 41002004) is N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide is COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
The InChIKey is ORVAKIXRXMWIOG-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-33-21-9-5-6-17(14-21)16-28-22(15-23(30)27-19-12-10-18(26)11-13-19)24(31)29(25(28)32)20-7-3-2-4-8-20/h2-14,22H,15-16H2,1H3,(H,27,30)/t22-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide has a molecular weight of 447.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 41002004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).