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

C25H21ClFN3O3 — CID 2962726

IUPACN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)C2CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClFN3O3/c1-16-2-4-17(5-3-16)15-29-22(14-23(31)28-20-10-6-18(26)7-11-20)24(32)30(25(29)33)21-12-8-19(27)9-13-21/h2-13,22H,14-15H2,1H3,(H,28,31)
InChIKeyCJUSTXVCPBRAHS-UHFFFAOYSA-N
MW465.91 g/mol
LogP5.15
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 2962726) has the molecular formula C25H21ClFN3O3 and a molecular weight of 465.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID2962726
Molecular FormulaC25H21ClFN3O3
Molecular Weight465.91 g/mol
Exact Mass465.13
IUPAC NameN-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)C2CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H21ClFN3O3/c1-16-2-4-17(5-3-16)15-29-22(14-23(31)28-20-10-6-18(26)7-11-20)24(32)30(25(29)33)21-12-8-19(27)9-13-21/h2-13,22H,14-15H2,1H3,(H,28,31)
InChIKeyCJUSTXVCPBRAHS-UHFFFAOYSA-N
XLogP5.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.91
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 2962726) is N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is Cc1ccc(CN2C(=O)N(c3ccc(F)cc3)C(=O)C2CC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is CJUSTXVCPBRAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O3/c1-16-2-4-17(5-3-16)15-29-22(14-23(31)28-20-10-6-18(26)7-11-20)24(32)30(25(29)33)21-12-8-19(27)9-13-21/h2-13,22H,14-15H2,1H3,(H,28,31).
What are the key properties of N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 465.91 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 2962726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).