1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H27FN2O2 — CID 4251323

IUPAC1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C20H27FN2O2/c21-17-10-8-15(9-11-17)13-22-20(25)16-12-19(24)23(14-16)18-6-4-2-1-3-5-7-18/h8-11,16,18H,1-7,12-14H2,(H,22,25)
InChIKeyOCEVNHQNAKJXNR-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.40
Rot. Bonds4

About 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4251323) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4251323
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C20H27FN2O2/c21-17-10-8-15(9-11-17)13-22-20(25)16-12-19(24)23(14-16)18-6-4-2-1-3-5-7-18/h8-11,16,18H,1-7,12-14H2,(H,22,25)
InChIKeyOCEVNHQNAKJXNR-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 4251323) is 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CC(=O)N(C2CCCCCCC2)C1.
What is the InChIKey of 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OCEVNHQNAKJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-10-8-15(9-11-17)13-22-20(25)16-12-19(24)23(14-16)18-6-4-2-1-3-5-7-18/h8-11,16,18H,1-7,12-14H2,(H,22,25).
What are the key properties of 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4251323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).