N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide

C13H16F3NO2 — CID 91445268

IUPACN-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)(O)CCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-12(2,19)6-7-17-11(18)9-4-3-5-10(8-9)13(14,15)16/h3-5,8,19H,6-7H2,1-2H3,(H,17,18)
InChIKeyYGLSTIIJMGURPH-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.60
Rot. Bonds4

About N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide

N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide (PubChem CID 91445268) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
PubChem CID91445268
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)(O)CCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-12(2,19)6-7-17-11(18)9-4-3-5-10(8-9)13(14,15)16/h3-5,8,19H,6-7H2,1-2H3,(H,17,18)
InChIKeyYGLSTIIJMGURPH-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
2-hydroxy-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 66171794
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-(5-bromo-4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 106157920

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide (CID 91445268) is N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide is CC(C)(O)CCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide?
The InChIKey is YGLSTIIJMGURPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-12(2,19)6-7-17-11(18)9-4-3-5-10(8-9)13(14,15)16/h3-5,8,19H,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide?
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91445268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).