2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide

C12H14F3NO2 — CID 113376547

IUPAC2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide
SMILESCC(O)CC(C)NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3NO2/c1-6(5-7(2)17)16-12(18)8-3-4-9(13)11(15)10(8)14/h3-4,6-7,17H,5H2,1-2H3,(H,16,18)
InChIKeyAOZYGNLIQFHQJV-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.99
Rot. Bonds4

About 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide

2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide (PubChem CID 113376547) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide
PubChem CID113376547
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide
SMILESCC(O)CC(C)NC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3NO2/c1-6(5-7(2)17)16-12(18)8-3-4-9(13)11(15)10(8)14/h3-4,6-7,17H,5H2,1-2H3,(H,16,18)
InChIKeyAOZYGNLIQFHQJV-UHFFFAOYSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
2-fluoro-N-(4-hydroxypentan-2-yl)-5-nitrobenzamide
CID 113376183
(2S)-3-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749135
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825
2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide
CID 87972282
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 113376501
N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-2,3,4-trifluorobenzamide
CID 127054399
4-bromo-N-(4-hydroxypentan-2-yl)-2-methylbenzamide
CID 113376588
N-(1-aminopentan-3-yl)-2,3,4-trifluorobenzamide
CID 79749483
N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113384178
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
CID 97350116

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide (CID 113376547) is 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide is CC(O)CC(C)NC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide?
The InChIKey is AOZYGNLIQFHQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-6(5-7(2)17)16-12(18)8-3-4-9(13)11(15)10(8)14/h3-4,6-7,17H,5H2,1-2H3,(H,16,18).
What are the key properties of 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide?
2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide has a molecular weight of 261.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide is sourced from PubChem (CID 113376547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).