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

C22H20F2N4O3 — CID 46582965

IUPACN-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCC#N)c2ccccc2F)C1=O
InChIInChI=1S/C22H20F2N4O3/c1-2-22(15-8-10-16(23)11-9-15)20(30)28(21(31)26-22)14-19(29)27(13-5-12-25)18-7-4-3-6-17(18)24/h3-4,6-11H,2,5,13-14H2,1H3,(H,26,31)
InChIKeyUSNKCJCKFJTPIG-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.07
Rot. Bonds7

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

N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 46582965) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID46582965
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC NameN-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCC#N)c2ccccc2F)C1=O
InChIInChI=1S/C22H20F2N4O3/c1-2-22(15-8-10-16(23)11-9-15)20(30)28(21(31)26-22)14-19(29)27(13-5-12-25)18-7-4-3-6-17(18)24/h3-4,6-11H,2,5,13-14H2,1H3,(H,26,31)
InChIKeyUSNKCJCKFJTPIG-UHFFFAOYSA-N
XLogP3.07
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2099551
N-ethyl-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7875401
N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
ethyl 2-(N-[2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]anilino)acetate
CID 55355208
N,N-dibutyl-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571095
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
N-(2-cyanoethyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 46642421
N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 24565809
N-(2-cyanoethyl)-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 46583189
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenyl-N-prop-2-enylacetamide
CID 51215251
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 8571043

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 46582965) is N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N(CCC#N)c2ccccc2F)C1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is USNKCJCKFJTPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-2-22(15-8-10-16(23)11-9-15)20(30)28(21(31)26-22)14-19(29)27(13-5-12-25)18-7-4-3-6-17(18)24/h3-4,6-11H,2,5,13-14H2,1H3,(H,26,31).
What are the key properties of N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide?
N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 426.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 46582965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).