N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide

C24H21FN4O2 — CID 135401389

IUPACN-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide
SMILESO=C(C/N=C1\NC(=O)C(c2ccccc2)(c2ccccc2)N1)NCc1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2/c25-20-13-11-17(12-14-20)15-26-21(30)16-27-23-28-22(31)24(29-23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,30)(H2,27,28,29,31)
InChIKeyAETNQVLLAQZXEC-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.46
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide

N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide (PubChem CID 135401389) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide
PubChem CID135401389
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide
SMILESO=C(C/N=C1\NC(=O)C(c2ccccc2)(c2ccccc2)N1)NCc1ccc(F)cc1
InChIInChI=1S/C24H21FN4O2/c25-20-13-11-17(12-14-20)15-26-21(30)16-27-23-28-22(31)24(29-23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,30)(H2,27,28,29,31)
InChIKeyAETNQVLLAQZXEC-UHFFFAOYSA-N
XLogP2.46
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide (CID 135401389) is N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide is O=C(C/N=C1\NC(=O)C(c2ccccc2)(c2ccccc2)N1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide?
The InChIKey is AETNQVLLAQZXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-20-13-11-17(12-14-20)15-26-21(30)16-27-23-28-22(31)24(29-23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,30)(H2,27,28,29,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide has a molecular weight of 416.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(5-oxo-4,4-diphenylimidazolidin-2-ylidene)amino]acetamide is sourced from PubChem (CID 135401389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).