2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide

C23H27FN4O4 — CID 118754012

IUPAC2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCc1nonc1CN(C)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H27FN4O4/c1-15-19(26-32-25-15)14-27(2)20(29)12-23(17-10-6-7-11-18(17)24)13-21(30)28(22(23)31)16-8-4-3-5-9-16/h6-7,10-11,16H,3-5,8-9,12-14H2,1-2H3
InChIKeyZKAZNUTXJNWRJZ-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.90
Rot. Bonds6

About 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide

2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (PubChem CID 118754012) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
PubChem CID118754012
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCc1nonc1CN(C)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H27FN4O4/c1-15-19(26-32-25-15)14-27(2)20(29)12-23(17-10-6-7-11-18(17)24)13-21(30)28(22(23)31)16-8-4-3-5-9-16/h6-7,10-11,16H,3-5,8-9,12-14H2,1-2H3
InChIKeyZKAZNUTXJNWRJZ-UHFFFAOYSA-N
XLogP2.90
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (CID 118754012) is 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is Cc1nonc1CN(C)C(=O)CC1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is ZKAZNUTXJNWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-15-19(26-32-25-15)14-27(2)20(29)12-23(17-10-6-7-11-18(17)24)13-21(30)28(22(23)31)16-8-4-3-5-9-16/h6-7,10-11,16H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 442.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 118754012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).