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

C20H26FN3O3 — CID 7565463

IUPACN-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC1(C)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O
InChIInChI=1S/C20H26FN3O3/c1-20(2)18(26)24(19(27)22-20)13-17(25)23(16-6-4-3-5-7-16)12-14-8-10-15(21)11-9-14/h8-11,16H,3-7,12-13H2,1-2H3,(H,22,27)
InChIKeyABENSDZYEHLQHX-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.82
Rot. Bonds5

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

N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7565463) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7565463
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC NameN-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC1(C)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O
InChIInChI=1S/C20H26FN3O3/c1-20(2)18(26)24(19(27)22-20)13-17(25)23(16-6-4-3-5-7-16)12-14-8-10-15(21)11-9-14/h8-11,16H,3-7,12-13H2,1-2H3,(H,22,27)
InChIKeyABENSDZYEHLQHX-UHFFFAOYSA-N
XLogP2.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 7565463) is N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is CC1(C)NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ABENSDZYEHLQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-20(2)18(26)24(19(27)22-20)13-17(25)23(16-6-4-3-5-7-16)12-14-8-10-15(21)11-9-14/h8-11,16H,3-7,12-13H2,1-2H3,(H,22,27).
What are the key properties of N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide?
N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7565463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).