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

C18H23FN2O2 — CID 46109594

IUPACN-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c19-15-8-6-13(7-9-15)11-21-12-14(10-17(21)22)18(23)20-16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2,(H,20,23)
InChIKeyJBDZTFOQJNYTFS-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.62
Rot. Bonds4

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

N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109594) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46109594
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c19-15-8-6-13(7-9-15)11-21-12-14(10-17(21)22)18(23)20-16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2,(H,20,23)
InChIKeyJBDZTFOQJNYTFS-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 46109594) is N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JBDZTFOQJNYTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-8-6-13(7-9-15)11-21-12-14(10-17(21)22)18(23)20-16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-12H2,(H,20,23).
What are the key properties of N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).