2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide

C23H21ClFNO3 — CID 162643651

IUPAC2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21ClFNO3/c1-23(2,29-21-11-5-17(24)6-12-21)22(27)26-19-9-13-20(14-10-19)28-15-16-3-7-18(25)8-4-16/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyCTKXEKMBJRKADE-UHFFFAOYSA-N
MW413.88 g/mol
LogP5.85
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide (PubChem CID 162643651) has the molecular formula C23H21ClFNO3 and a molecular weight of 413.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide
PubChem CID162643651
Molecular FormulaC23H21ClFNO3
Molecular Weight413.88 g/mol
Exact Mass413.12
IUPAC Name2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21ClFNO3/c1-23(2,29-21-11-5-17(24)6-12-21)22(27)26-19-9-13-20(14-10-19)28-15-16-3-7-18(25)8-4-16/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyCTKXEKMBJRKADE-UHFFFAOYSA-N
XLogP5.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.88
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide 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-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide (CID 162643651) is 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide?
The InChIKey is CTKXEKMBJRKADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFNO3/c1-23(2,29-21-11-5-17(24)6-12-21)22(27)26-19-9-13-20(14-10-19)28-15-16-3-7-18(25)8-4-16/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide has a molecular weight of 413.88 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)methoxy]phenyl]-2-methylpropanamide is sourced from PubChem (CID 162643651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).