4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide

C21H20F2N4O4 — CID 30123684

IUPAC4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C21H20F2N4O4/c1-21(15-10-13(22)6-9-16(15)23)19(30)27(20(31)25-21)11-17(28)24-14-7-4-12(5-8-14)18(29)26(2)3/h4-10H,11H2,1-3H3,(H,24,28)(H,25,31)/t21-/m0/s1
InChIKeyNRPCHDXLXKPJJU-NRFANRHFSA-N
MW430.41 g/mol
LogP2.07
Rot. Bonds5

About 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 30123684) has the molecular formula C21H20F2N4O4 and a molecular weight of 430.41 g/mol. Its IUPAC name is 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID30123684
Molecular FormulaC21H20F2N4O4
Molecular Weight430.41 g/mol
Exact Mass430.15
IUPAC Name4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1
InChIInChI=1S/C21H20F2N4O4/c1-21(15-10-13(22)6-9-16(15)23)19(30)27(20(31)25-21)11-17(28)24-14-7-4-12(5-8-14)18(29)26(2)3/h4-10H,11H2,1-3H3,(H,24,28)(H,25,31)/t21-/m0/s1
InChIKeyNRPCHDXLXKPJJU-NRFANRHFSA-N
XLogP2.07
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 52.07
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
N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801296
4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 7561970
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
4-[[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 46646653
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
4-[[2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 47094570
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7801292
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7801352
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide (CID 30123684) is 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1.
What is the InChIKey of 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is NRPCHDXLXKPJJU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20F2N4O4/c1-21(15-10-13(22)6-9-16(15)23)19(30)27(20(31)25-21)11-17(28)24-14-7-4-12(5-8-14)18(29)26(2)3/h4-10H,11H2,1-3H3,(H,24,28)(H,25,31)/t21-/m0/s1.
What are the key properties of 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 430.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30123684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).