N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

C20H23FN4O3 — CID 51435462

IUPACN-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C1(C#N)CCCCC1
InChIInChI=1S/C20H23FN4O3/c1-19(14-6-8-15(21)9-7-14)17(27)25(18(28)23-19)12-16(26)24(2)20(13-22)10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3,(H,23,28)/t19-/m1/s1
InChIKeyPATUVMMSOWXJHT-LJQANCHMSA-N
MW386.43 g/mol
LogP2.28
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (PubChem CID 51435462) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
PubChem CID51435462
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C1(C#N)CCCCC1
InChIInChI=1S/C20H23FN4O3/c1-19(14-6-8-15(21)9-7-14)17(27)25(18(28)23-19)12-16(26)24(2)20(13-22)10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3,(H,23,28)/t19-/m1/s1
InChIKeyPATUVMMSOWXJHT-LJQANCHMSA-N
XLogP2.28
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.28
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

2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 43016293
N-(1-cyanocyclohexyl)-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18100057
3-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-methylamino]propanoic acid
CID 119362736
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24520357
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119444473
N-(1-cyanocyclohexyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 36876492
N-cyclooctyl-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250040
N-[2-(4-fluorophenoxy)ethyl]-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 32762583
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 18099226
N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7431279
5-(4-fluorophenyl)-5-methyl-3-[2-(1-oxa-4-azaspiro[5.5]undecan-4-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 139004489

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide (CID 51435462) is N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
The InChIKey is PATUVMMSOWXJHT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-19(14-6-8-15(21)9-7-14)17(27)25(18(28)23-19)12-16(26)24(2)20(13-22)10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3,(H,23,28)/t19-/m1/s1.
What are the key properties of N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide has a molecular weight of 386.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 51435462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).