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

C17H16F3NO3 — CID 52503690

IUPACN-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
SMILESO=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-7-4-8-15(9-13)24-11-14(22)10-21-16(23)12-5-2-1-3-6-12/h1-9,14,22H,10-11H2,(H,21,23)/t14-/m0/s1
InChIKeyLZZZDCMZEHVLAK-AWEZNQCLSA-N
MW339.31 g/mol
LogP2.88
Rot. Bonds6

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

N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide (PubChem CID 52503690) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
PubChem CID52503690
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC NameN-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
SMILESO=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-7-4-8-15(9-13)24-11-14(22)10-21-16(23)12-5-2-1-3-6-12/h1-9,14,22H,10-11H2,(H,21,23)/t14-/m0/s1
InChIKeyLZZZDCMZEHVLAK-AWEZNQCLSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 99801130
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 102563811
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-1H-indazole-3-carboxamide
CID 47932682
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide
CID 47932718
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
5-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylbenzamide
CID 120625917

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide (CID 52503690) is N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide is O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide?
The InChIKey is LZZZDCMZEHVLAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16F3NO3/c18-17(19,20)13-7-4-8-15(9-13)24-11-14(22)10-21-16(23)12-5-2-1-3-6-12/h1-9,14,22H,10-11H2,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide?
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide has a molecular weight of 339.31 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide is sourced from PubChem (CID 52503690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).