N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide

C13H16F3NO3 — CID 95368900

IUPACN-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
SMILESCOC[C@](C)(O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-12(19,8-20-2)7-17-11(18)9-5-3-4-6-10(9)13(14,15)16/h3-6,19H,7-8H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyHUHHMYJLODBKGL-GFCCVEGCSA-N
MW291.27 g/mol
LogP1.83
Rot. Bonds5

About N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide

N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide (PubChem CID 95368900) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
PubChem CID95368900
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
SMILESCOC[C@](C)(O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO3/c1-12(19,8-20-2)7-17-11(18)9-5-3-4-6-10(9)13(14,15)16/h3-6,19H,7-8H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyHUHHMYJLODBKGL-GFCCVEGCSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392
N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 56724202
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
N-(2-iminopropyl)-2-(trifluoromethyl)benzamide
CID 145390070
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578
2-(ethylamino)-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65109341

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide (CID 95368900) is N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide is COC[C@](C)(O)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide?
The InChIKey is HUHHMYJLODBKGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-12(19,8-20-2)7-17-11(18)9-5-3-4-6-10(9)13(14,15)16/h3-6,19H,7-8H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide?
N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide has a molecular weight of 291.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 95368900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).