N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C18H19FN4O3 — CID 47082493

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccccc2F)NC(=O)N(CC(=O)NC(C)(C#N)C2CC2)C1=O
InChIInChI=1S/C18H19FN4O3/c1-17(10-20,11-7-8-11)21-14(24)9-23-15(25)18(2,22-16(23)26)12-5-3-4-6-13(12)19/h3-6,11H,7-9H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyXNWFVZHHJOINBD-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.40
Rot. Bonds5

About N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 47082493) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID47082493
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccccc2F)NC(=O)N(CC(=O)NC(C)(C#N)C2CC2)C1=O
InChIInChI=1S/C18H19FN4O3/c1-17(10-20,11-7-8-11)21-14(24)9-23-15(25)18(2,22-16(23)26)12-5-3-4-6-13(12)19/h3-6,11H,7-9H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyXNWFVZHHJOINBD-UHFFFAOYSA-N
XLogP1.40
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.40
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-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180255
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]imidazolidin-1-yl]acetamide
CID 52516692
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94815011
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7621415
N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951283
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969
N-cyclopropyl-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47082477
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 94818608
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7181621
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 9205197

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 47082493) is N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccccc2F)NC(=O)N(CC(=O)NC(C)(C#N)C2CC2)C1=O.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is XNWFVZHHJOINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-17(10-20,11-7-8-11)21-14(24)9-23-15(25)18(2,22-16(23)26)12-5-3-4-6-13(12)19/h3-6,11H,7-9H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 358.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 47082493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).