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

C19H17F6NO3 — CID 95787037

IUPACN-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F6NO3/c1-26(17(28)13-6-2-3-7-14(13)18(20,21)22)10-12(27)11-29-16-9-5-4-8-15(16)19(23,24)25/h2-9,12,27H,10-11H2,1H3/t12-/m1/s1
InChIKeyHACKWYOYAQVOPB-GFCCVEGCSA-N
MW421.34 g/mol
LogP4.24
Rot. Bonds6

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

N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide (PubChem CID 95787037) has the molecular formula C19H17F6NO3 and a molecular weight of 421.34 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
PubChem CID95787037
Molecular FormulaC19H17F6NO3
Molecular Weight421.34 g/mol
Exact Mass421.11
IUPAC NameN-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
SMILESCN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H17F6NO3/c1-26(17(28)13-6-2-3-7-14(13)18(20,21)22)10-12(27)11-29-16-9-5-4-8-15(16)19(23,24)25/h2-9,12,27H,10-11H2,1H3/t12-/m1/s1
InChIKeyHACKWYOYAQVOPB-GFCCVEGCSA-N
XLogP4.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119741458
2-(aminomethyl)-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119741467
3-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119950359
3-cyclohexyl-1-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 52502216
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
N-(2-bromo-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80678208
(2R,4R)-4-hydroxy-N-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methylpyrrolidine-2-carboxamide
CID 124686874
N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119299219
(2R)-N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 124686705
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
3-[[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-methylamino]-1-methylpyrrolidin-2-one
CID 71999796

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide (CID 95787037) is N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide is CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is HACKWYOYAQVOPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F6NO3/c1-26(17(28)13-6-2-3-7-14(13)18(20,21)22)10-12(27)11-29-16-9-5-4-8-15(16)19(23,24)25/h2-9,12,27H,10-11H2,1H3/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide?
N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 421.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 95787037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).