2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide

C13H18FNO2 — CID 64557392

IUPAC2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H18FNO2/c1-4-13(3,8-16)15-12(17)10-7-9(2)5-6-11(10)14/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyUQOLLIVJSHHAHM-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.02
Rot. Bonds4

About 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide

2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide (PubChem CID 64557392) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
PubChem CID64557392
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H18FNO2/c1-4-13(3,8-16)15-12(17)10-7-9(2)5-6-11(10)14/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyUQOLLIVJSHHAHM-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylbutan-2-yl)-2-fluoro-5-methylbenzamide
CID 64551129
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
CID 115605934
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
CID 75519360
2-fluoro-N-(3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 114174609
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
2-chloro-4,5-difluoro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64556023
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724689
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-(1-bromo-2-methylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114314327

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide (CID 64557392) is 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide is CCC(C)(CO)NC(=O)c1cc(C)ccc1F.
What is the InChIKey of 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide?
The InChIKey is UQOLLIVJSHHAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-13(3,8-16)15-12(17)10-7-9(2)5-6-11(10)14/h5-7,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide?
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide has a molecular weight of 239.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide is sourced from PubChem (CID 64557392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).