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

C25H21ClFN3O4 — CID 46276974

IUPAC2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1cccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C25H21ClFN3O4/c1-34-21-7-2-4-16(12-21)15-29-22(14-23(31)28-19-6-3-5-18(27)13-19)24(32)30(25(29)33)20-10-8-17(26)9-11-20/h2-13,22H,14-15H2,1H3,(H,28,31)
InChIKeyALMQXGSRRLSFIP-UHFFFAOYSA-N
MW481.91 g/mol
LogP4.85
Rot. Bonds7

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

2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 46276974) has the molecular formula C25H21ClFN3O4 and a molecular weight of 481.91 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide
PubChem CID46276974
Molecular FormulaC25H21ClFN3O4
Molecular Weight481.91 g/mol
Exact Mass481.12
IUPAC Name2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide
SMILESCOc1cccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C25H21ClFN3O4/c1-34-21-7-2-4-16(12-21)15-29-22(14-23(31)28-19-6-3-5-18(27)13-19)24(32)30(25(29)33)20-10-8-17(26)9-11-20/h2-13,22H,14-15H2,1H3,(H,28,31)
InChIKeyALMQXGSRRLSFIP-UHFFFAOYSA-N
XLogP4.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.91
LogP ≤ 54.85
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-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276958
N-(4-chlorophenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001990
N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284859
N-(4-methoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41001956
N-(4-fluorophenyl)-2-[(4R)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41002004
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-[(4R)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92690485
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5296381
N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41001950
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-(3-fluorophenyl)-2-[3-(2-methoxyethyl)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3165086

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide (CID 46276974) is 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide is COc1cccc(CN2C(=O)N(c3ccc(Cl)cc3)C(=O)C2CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is ALMQXGSRRLSFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O4/c1-34-21-7-2-4-16(12-21)15-29-22(14-23(31)28-19-6-3-5-18(27)13-19)24(32)30(25(29)33)20-10-8-17(26)9-11-20/h2-13,22H,14-15H2,1H3,(H,28,31).
What are the key properties of 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide?
2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 481.91 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 46276974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).