N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

C20H25FN2O3 — CID 45178308

IUPACN-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCN1C(=O)CC(CC(=O)N(C)C2CCCCC2)(c2cccc(F)c2)C1=O
InChIInChI=1S/C20H25FN2O3/c1-22(16-9-4-3-5-10-16)17(24)12-20(13-18(25)23(2)19(20)26)14-7-6-8-15(21)11-14/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3
InChIKeyUEWNRVHQJPJFQV-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.63
Rot. Bonds4

About N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide

N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (PubChem CID 45178308) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
PubChem CID45178308
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC NameN-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
SMILESCN1C(=O)CC(CC(=O)N(C)C2CCCCC2)(c2cccc(F)c2)C1=O
InChIInChI=1S/C20H25FN2O3/c1-22(16-9-4-3-5-10-16)17(24)12-20(13-18(25)23(2)19(20)26)14-7-6-8-15(21)11-14/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3
InChIKeyUEWNRVHQJPJFQV-UHFFFAOYSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide (CID 45178308) is N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is CN1C(=O)CC(CC(=O)N(C)C2CCCCC2)(c2cccc(F)c2)C1=O.
What is the InChIKey of N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is UEWNRVHQJPJFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-22(16-9-4-3-5-10-16)17(24)12-20(13-18(25)23(2)19(20)26)14-7-6-8-15(21)11-14/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide?
N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 360.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 45178308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).