2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C14H18F3NO2 — CID 103820494

IUPAC2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)10-7-5-4-6-9(10)12(20)18-8-11(19)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20)
InChIKeyOEXLVIGLTYJCPW-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.64
Rot. Bonds3

About 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103820494) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103820494
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-13(2,3)10-7-5-4-6-9(10)12(20)18-8-11(19)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20)
InChIKeyOEXLVIGLTYJCPW-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103755895
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723346
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
CID 103726174
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
2,6-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103726330

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103820494) is 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is CC(C)(C)c1ccccc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is OEXLVIGLTYJCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-13(2,3)10-7-5-4-6-9(10)12(20)18-8-11(19)14(15,16)17/h4-7,11,19H,8H2,1-3H3,(H,18,20).
What are the key properties of 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103820494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).