2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide

C19H19ClF3NO4 — CID 47932543

IUPAC2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESO=C(COCc1ccccc1Cl)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19ClF3NO4/c20-17-7-2-1-4-13(17)10-27-12-18(26)24-9-15(25)11-28-16-6-3-5-14(8-16)19(21,22)23/h1-8,15,25H,9-12H2,(H,24,26)
InChIKeyJHQXUMYCFNUDOD-UHFFFAOYSA-N
MW417.81 g/mol
LogP3.43
Rot. Bonds9

About 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide

2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide (PubChem CID 47932543) has the molecular formula C19H19ClF3NO4 and a molecular weight of 417.81 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
PubChem CID47932543
Molecular FormulaC19H19ClF3NO4
Molecular Weight417.81 g/mol
Exact Mass417.10
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESO=C(COCc1ccccc1Cl)NCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19ClF3NO4/c20-17-7-2-1-4-13(17)10-27-12-18(26)24-9-15(25)11-28-16-6-3-5-14(8-16)19(21,22)23/h1-8,15,25H,9-12H2,(H,24,26)
InChIKeyJHQXUMYCFNUDOD-UHFFFAOYSA-N
XLogP3.43
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.81
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
CID 120609837
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
2-[(2-chlorophenyl)methoxy]-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111102696
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-1H-indazole-3-carboxamide
CID 47932682
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide (CID 47932543) is 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide is O=C(COCc1ccccc1Cl)NCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide?
The InChIKey is JHQXUMYCFNUDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO4/c20-17-7-2-1-4-13(17)10-27-12-18(26)24-9-15(25)11-28-16-6-3-5-14(8-16)19(21,22)23/h1-8,15,25H,9-12H2,(H,24,26).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide?
2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide has a molecular weight of 417.81 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 47932543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).