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

C25H21F2N3O3 — CID 41284915

IUPACN-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C25H21F2N3O3/c1-16-4-2-7-21(12-16)30-24(32)22(14-23(31)28-20-6-3-5-19(27)13-20)29(25(30)33)15-17-8-10-18(26)11-9-17/h2-13,22H,14-15H2,1H3,(H,28,31)/t22-/m0/s1
InChIKeyHMPGCPWXYLNTLI-QFIPXVFZSA-N
MW449.46 g/mol
LogP4.64
Rot. Bonds6

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

N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 41284915) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID41284915
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC NameN-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C25H21F2N3O3/c1-16-4-2-7-21(12-16)30-24(32)22(14-23(31)28-20-6-3-5-19(27)13-20)29(25(30)33)15-17-8-10-18(26)11-9-17/h2-13,22H,14-15H2,1H3,(H,28,31)/t22-/m0/s1
InChIKeyHMPGCPWXYLNTLI-QFIPXVFZSA-N
XLogP4.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 41284888
2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 41284802
N-(3-fluorophenyl)-2-[(4R)-1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 41284859
N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 1256526
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775848
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4775847
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276958
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-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 3662990
ethyl 4-[[2-[(4R)-1-(3-methylphenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 27136617
N-(4-chlorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 1303497
2-[3-[(3,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 4602426

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide (CID 41284915) is N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is Cc1cccc(N2C(=O)[C@H](CC(=O)Nc3cccc(F)c3)N(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is HMPGCPWXYLNTLI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c1-16-4-2-7-21(12-16)30-24(32)22(14-23(31)28-20-6-3-5-19(27)13-20)29(25(30)33)15-17-8-10-18(26)11-9-17/h2-13,22H,14-15H2,1H3,(H,28,31)/t22-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 449.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(4S)-3-[(4-fluorophenyl)methyl]-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 41284915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).