N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

C24H27FN4O4 — CID 46443985

IUPACN,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)NC(CC)(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C24H27FN4O4/c1-4-24(17-10-12-18(25)13-11-17)22(32)29(23(33)27-24)15-20(30)26-19-9-7-8-16(14-19)21(31)28(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,26,30)(H,27,33)
InChIKeyVANRACCNNVLCLM-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.10
Rot. Bonds8

About N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (PubChem CID 46443985) has the molecular formula C24H27FN4O4 and a molecular weight of 454.50 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
PubChem CID46443985
Molecular FormulaC24H27FN4O4
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC NameN,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)NC(CC)(c3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C24H27FN4O4/c1-4-24(17-10-12-18(25)13-11-17)22(32)29(23(33)27-24)15-20(30)26-19-9-7-8-16(14-19)21(31)28(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,26,30)(H,27,33)
InChIKeyVANRACCNNVLCLM-UHFFFAOYSA-N
XLogP3.10
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.10
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

2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7595557
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
CID 4804766
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7179860
N-[4-(diethylsulfamoyl)phenyl]-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16614144
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 42964377
3-[[2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 46677334
N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7242671

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (CID 46443985) is N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CN2C(=O)NC(CC)(c3ccc(F)cc3)C2=O)c1.
What is the InChIKey of N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is VANRACCNNVLCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4/c1-4-24(17-10-12-18(25)13-11-17)22(32)29(23(33)27-24)15-20(30)26-19-9-7-8-16(14-19)21(31)28(5-2)6-3/h7-14H,4-6,15H2,1-3H3,(H,26,30)(H,27,33).
What are the key properties of N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 454.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 46443985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).