N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C20H17F2N3O4 — CID 7801296

IUPACN-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C20H17F2N3O4/c1-11(26)12-3-6-14(7-4-12)23-17(27)10-25-18(28)20(2,24-19(25)29)15-9-13(21)5-8-16(15)22/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29)/t20-/m0/s1
InChIKeyVQKXTSVLGCCVFH-FQEVSTJZSA-N
MW401.37 g/mol
LogP2.57
Rot. Bonds5

About N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7801296) has the molecular formula C20H17F2N3O4 and a molecular weight of 401.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7801296
Molecular FormulaC20H17F2N3O4
Molecular Weight401.37 g/mol
Exact Mass401.12
IUPAC NameN-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C20H17F2N3O4/c1-11(26)12-3-6-14(7-4-12)23-17(27)10-25-18(28)20(2,24-19(25)29)15-9-13(21)5-8-16(15)22/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29)/t20-/m0/s1
InChIKeyVQKXTSVLGCCVFH-FQEVSTJZSA-N
XLogP2.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801295
4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 7561970
4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 30123684
N-[4-(diethylsulfamoyl)phenyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40814427
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 40985259
N-(3-cyanophenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7561950
N-(4-acetylphenyl)-2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2583251
N-(4-acetylphenyl)-2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17397205
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7801292
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509646
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7801296) is N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is VQKXTSVLGCCVFH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17F2N3O4/c1-11(26)12-3-6-14(7-4-12)23-17(27)10-25-18(28)20(2,24-19(25)29)15-9-13(21)5-8-16(15)22/h3-9H,10H2,1-2H3,(H,23,27)(H,24,29)/t20-/m0/s1.
What are the key properties of N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 401.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7801296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).