N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide

C12H14F3NO3 — CID 103920258

IUPACN-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-2-9(7-17)16-11(18)8-3-5-10(6-4-8)19-12(13,14)15/h3-6,9,17H,2,7H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyRFQLOYOEXVABNA-SECBINFHSA-N
MW277.24 g/mol
LogP2.09
Rot. Bonds5

About N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide

N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 103920258) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID103920258
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCC[C@H](CO)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-2-9(7-17)16-11(18)8-3-5-10(6-4-8)19-12(13,14)15/h3-6,9,17H,2,7H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyRFQLOYOEXVABNA-SECBINFHSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxybutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110466125
N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 103799562
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
CID 112771460
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103602335
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
(2S)-2-[[4-(trifluoromethoxy)benzoyl]amino]hexanoic acid
CID 120614931
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide (CID 103920258) is N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide is CC[C@H](CO)NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is RFQLOYOEXVABNA-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-9(7-17)16-11(18)8-3-5-10(6-4-8)19-12(13,14)15/h3-6,9,17H,2,7H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide?
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 277.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 103920258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).