3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide

C19H20F3NO4 — CID 47932930

IUPAC3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
SMILESCCOc1cccc(C(=O)NCC(O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3NO4/c1-2-26-16-7-3-5-13(9-16)18(25)23-11-15(24)12-27-17-8-4-6-14(10-17)19(20,21)22/h3-10,15,24H,2,11-12H2,1H3,(H,23,25)
InChIKeyFIFACYFPAQICGG-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.27
Rot. Bonds8

About 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide

3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide (PubChem CID 47932930) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
PubChem CID47932930
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Name3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
SMILESCCOc1cccc(C(=O)NCC(O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H20F3NO4/c1-2-26-16-7-3-5-13(9-16)18(25)23-11-15(24)12-27-17-8-4-6-14(10-17)19(20,21)22/h3-10,15,24H,2,11-12H2,1H3,(H,23,25)
InChIKeyFIFACYFPAQICGG-UHFFFAOYSA-N
XLogP3.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide
CID 47932718
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563811
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 99801130
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
N-[3,5-bis(trifluoromethyl)phenyl]-3-ethoxybenzamide
CID 1371534
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide (CID 47932930) is 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide is CCOc1cccc(C(=O)NCC(O)COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide?
The InChIKey is FIFACYFPAQICGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-2-26-16-7-3-5-13(9-16)18(25)23-11-15(24)12-27-17-8-4-6-14(10-17)19(20,21)22/h3-10,15,24H,2,11-12H2,1H3,(H,23,25).
What are the key properties of 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide?
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide has a molecular weight of 383.37 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide is sourced from PubChem (CID 47932930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).