2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C23H34FN3O2 — CID 55530260

IUPAC2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(CN1CCCC1c1ccc(F)cc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C23H34FN3O2/c24-20-8-6-19(7-9-20)21-5-4-12-26(21)17-22(28)25-18-23(10-2-1-3-11-23)27-13-15-29-16-14-27/h6-9,21H,1-5,10-18H2,(H,25,28)
InChIKeyCSEXQMOZHOAPEB-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.11
Rot. Bonds6

About 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 55530260) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID55530260
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC Name2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(CN1CCCC1c1ccc(F)cc1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C23H34FN3O2/c24-20-8-6-19(7-9-20)21-5-4-12-26(21)17-22(28)25-18-23(10-2-1-3-11-23)27-13-15-29-16-14-27/h6-9,21H,1-5,10-18H2,(H,25,28)
InChIKeyCSEXQMOZHOAPEB-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide 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 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 55530260) is 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is O=C(CN1CCCC1c1ccc(F)cc1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is CSEXQMOZHOAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c24-20-8-6-19(7-9-20)21-5-4-12-26(21)17-22(28)25-18-23(10-2-1-3-11-23)27-13-15-29-16-14-27/h6-9,21H,1-5,10-18H2,(H,25,28).
What are the key properties of 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 403.54 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 55530260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).