3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride

C18H16ClF6NO2 — CID 87779430

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride
SMILESCl.NC(=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H15F6NO2.ClH/c19-17(20,21)13-6-11(7-14(8-13)18(22,23)24)9-27-10-15(16(25)26)12-4-2-1-3-5-12;/h1-8,15H,9-10H2,(H2,25,26);1H
InChIKeyZLVLUIXVCFXKAX-UHFFFAOYSA-N
MW427.77 g/mol
LogP4.93
Rot. Bonds6

About 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride (PubChem CID 87779430) has the molecular formula C18H16ClF6NO2 and a molecular weight of 427.77 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride
PubChem CID87779430
Molecular FormulaC18H16ClF6NO2
Molecular Weight427.77 g/mol
Exact Mass427.08
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride
SMILESCl.NC(=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H15F6NO2.ClH/c19-17(20,21)13-6-11(7-14(8-13)18(22,23)24)9-27-10-15(16(25)26)12-4-2-1-3-5-12;/h1-8,15H,9-10H2,(H2,25,26);1H
InChIKeyZLVLUIXVCFXKAX-UHFFFAOYSA-N
XLogP4.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride 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 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride (CID 87779430) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride is Cl.NC(=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride?
The InChIKey is ZLVLUIXVCFXKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO2.ClH/c19-17(20,21)13-6-11(7-14(8-13)18(22,23)24)9-27-10-15(16(25)26)12-4-2-1-3-5-12;/h1-8,15H,9-10H2,(H2,25,26);1H.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride?
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride has a molecular weight of 427.77 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 87779430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).