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

C18H15F6NO2 — CID 87779431

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide
SMILESNC(=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H15F6NO2/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)
InChIKeyBGXKSYKDBHKJNN-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.51
Rot. Bonds6

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

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide (PubChem CID 87779431) has the molecular formula C18H15F6NO2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide
PubChem CID87779431
Molecular FormulaC18H15F6NO2
Molecular Weight391.31 g/mol
Exact Mass391.10
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide
SMILESNC(=O)C(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H15F6NO2/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)
InChIKeyBGXKSYKDBHKJNN-UHFFFAOYSA-N
XLogP4.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide (CID 87779431) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide is 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?
The InChIKey is BGXKSYKDBHKJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO2/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).
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide?
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropanamide has a molecular weight of 391.31 g/mol, XLogP of 4.51, 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 is sourced from PubChem (CID 87779431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).