N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide

C13H16F3NO4 — CID 103799562

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCOCC(CCO)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO4/c1-20-8-10(6-7-18)17-12(19)9-2-4-11(5-3-9)21-13(14,15)16/h2-5,10,18H,6-8H2,1H3,(H,17,19)
InChIKeyQJEIWCJEXMGQLM-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.71
Rot. Bonds7

About N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide

N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 103799562) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID103799562
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCOCC(CCO)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO4/c1-20-8-10(6-7-18)17-12(19)9-2-4-11(5-3-9)21-13(14,15)16/h2-5,10,18H,6-8H2,1H3,(H,17,19)
InChIKeyQJEIWCJEXMGQLM-UHFFFAOYSA-N
XLogP1.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(1,5-dihydroxy-2-oxopentan-3-yl)-4-(trifluoromethoxy)benzamide
CID 58342810
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-iodobenzamide
CID 113434933
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
4-amino-3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151971
4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methoxybenzamide
CID 103850770
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide (CID 103799562) is N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide is COCC(CCO)NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is QJEIWCJEXMGQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-20-8-10(6-7-18)17-12(19)9-2-4-11(5-3-9)21-13(14,15)16/h2-5,10,18H,6-8H2,1H3,(H,17,19).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 307.27 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 103799562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).