N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide

C22H23FN4O4 — CID 46513573

IUPACN-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C22H23FN4O4/c1-13(2)19(29)25-17-10-8-16(9-11-17)24-18(28)12-27-20(30)22(3,26-21(27)31)14-4-6-15(23)7-5-14/h4-11,13H,12H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)
InChIKeyBQQHLJLXMORBAU-UHFFFAOYSA-N
MW426.45 g/mol
LogP2.83
Rot. Bonds6

About N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 46513573) has the molecular formula C22H23FN4O4 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID46513573
Molecular FormulaC22H23FN4O4
Molecular Weight426.45 g/mol
Exact Mass426.17
IUPAC NameN-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C22H23FN4O4/c1-13(2)19(29)25-17-10-8-16(9-11-17)24-18(28)12-27-20(30)22(3,26-21(27)31)14-4-6-15(23)7-5-14/h4-11,13H,12H2,1-3H3,(H,24,28)(H,25,29)(H,26,31)
InChIKeyBQQHLJLXMORBAU-UHFFFAOYSA-N
XLogP2.83
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46671942
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 55434764
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42918889
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55567225
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 18279498
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46512781
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595738
N-(4-tert-butylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595762

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide (CID 46513573) is N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is BQQHLJLXMORBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4/c1-13(2)19(29)25-17-10-8-16(9-11-17)24-18(28)12-27-20(30)22(3,26-21(27)31)14-4-6-15(23)7-5-14/h4-11,13H,12H2,1-3H3,(H,24,28)(H,25,29)(H,26,31).
What are the key properties of N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 426.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 46513573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).