2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide

C17H16ClFN2O2 — CID 84524501

IUPAC2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H16ClFN2O2/c18-13-3-1-12(2-4-13)16-11-21(9-10-23-16)17(22)20-15-7-5-14(19)6-8-15/h1-8,16H,9-11H2,(H,20,22)
InChIKeyVEVSNGVWOGXAFE-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.08
Rot. Bonds2

About 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide

2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide (PubChem CID 84524501) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide
PubChem CID84524501
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H16ClFN2O2/c18-13-3-1-12(2-4-13)16-11-21(9-10-23-16)17(22)20-15-7-5-14(19)6-8-15/h1-8,16H,9-11H2,(H,20,22)
InChIKeyVEVSNGVWOGXAFE-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-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 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide (CID 84524501) is 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide is O=C(Nc1ccc(F)cc1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is VEVSNGVWOGXAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-13-3-1-12(2-4-13)16-11-21(9-10-23-16)17(22)20-15-7-5-14(19)6-8-15/h1-8,16H,9-11H2,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide?
2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 84524501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).