N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C17H22FN3O3 — CID 4804739

IUPACN,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H22FN3O3/c1-4-17(12-7-9-13(18)10-8-12)15(23)21(16(24)19-17)11-14(22)20(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H,19,24)
InChIKeyPHXYKQDXCDFPSH-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.85
Rot. Bonds6

About N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4804739) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4804739
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC NameN,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H22FN3O3/c1-4-17(12-7-9-13(18)10-8-12)15(23)21(16(24)19-17)11-14(22)20(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H,19,24)
InChIKeyPHXYKQDXCDFPSH-UHFFFAOYSA-N
XLogP1.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571095
N-ethyl-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7875401
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 8571043
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 4680291
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8565898
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 51879775
ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355208
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8521709
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2582395

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4804739) is N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(CC)C(=O)CN1C(=O)NC(CC)(c2ccc(F)cc2)C1=O.
What is the InChIKey of N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is PHXYKQDXCDFPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-4-17(12-7-9-13(18)10-8-12)15(23)21(16(24)19-17)11-14(22)20(5-2)6-3/h7-10H,4-6,11H2,1-3H3,(H,19,24).
What are the key properties of N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 335.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4804739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).