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

C13H16F3NO3 — CID 64555572

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-3-12(2,8-18)17-11(19)9-4-6-10(7-5-9)20-13(14,15)16/h4-7,18H,3,8H2,1-2H3,(H,17,19)
InChIKeyPQROMMZQTUNMKD-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.48
Rot. Bonds5

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

N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 64555572) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID64555572
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO3/c1-3-12(2,8-18)17-11(19)9-4-6-10(7-5-9)20-13(14,15)16/h4-7,18H,3,8H2,1-2H3,(H,17,19)
InChIKeyPQROMMZQTUNMKD-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103602335
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-(trifluoromethoxy)benzamide
CID 107868078
N-(1-bromo-2-methylpropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116629348
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
4-(carbamoylamino)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64555959
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258
N-(1-bromo-2-methylbutan-2-yl)-4-(difluoromethoxy)benzamide
CID 114314541
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide (CID 64555572) is N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide is CCC(C)(CO)NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is PQROMMZQTUNMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-3-12(2,8-18)17-11(19)9-4-6-10(7-5-9)20-13(14,15)16/h4-7,18H,3,8H2,1-2H3,(H,17,19).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide?
N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 291.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 64555572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).