N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide

C23H23FN2O3 — CID 23745237

IUPACN-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
SMILESO=C1CC(N(C(=O)c2ccccc2F)C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H23FN2O3/c24-19-14-8-7-13-18(19)22(28)25(16-9-3-1-4-10-16)20-15-21(27)26(23(20)29)17-11-5-2-6-12-17/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2
InChIKeyZBJLORYFAUFDCC-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.93
Rot. Bonds4

About N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide

N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide (PubChem CID 23745237) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
PubChem CID23745237
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide
SMILESO=C1CC(N(C(=O)c2ccccc2F)C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H23FN2O3/c24-19-14-8-7-13-18(19)22(28)25(16-9-3-1-4-10-16)20-15-21(27)26(23(20)29)17-11-5-2-6-12-17/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2
InChIKeyZBJLORYFAUFDCC-UHFFFAOYSA-N
XLogP3.93
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.93
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-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide?
The IUPAC name of N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide (CID 23745237) is N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide is O=C1CC(N(C(=O)c2ccccc2F)C2CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide?
The InChIKey is ZBJLORYFAUFDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-19-14-8-7-13-18(19)22(28)25(16-9-3-1-4-10-16)20-15-21(27)26(23(20)29)17-11-5-2-6-12-17/h2,5-8,11-14,16,20H,1,3-4,9-10,15H2.
What are the key properties of N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide?
N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide has a molecular weight of 394.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 23745237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).