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

C13H18FNO2 — CID 75519360

IUPAC4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H18FNO2/c1-4-13(3,8-16)15-12(17)11-6-5-10(14)7-9(11)2/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyPTYZNSLMXLHLHD-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.02
Rot. Bonds4

About 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide

4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide (PubChem CID 75519360) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
PubChem CID75519360
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(F)cc1C
InChIInChI=1S/C13H18FNO2/c1-4-13(3,8-16)15-12(17)11-6-5-10(14)7-9(11)2/h5-7,16H,4,8H2,1-3H3,(H,15,17)
InChIKeyPTYZNSLMXLHLHD-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-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluoro-2-methylbenzamide
CID 114008483
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-[3-(chloromethyl)pentan-3-yl]-4-fluoro-2-methylbenzamide
CID 113400388
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-4-fluoro-2-methylbenzamide
CID 84592217
4-hydroxy-2-methyl-N-(3-methylpentan-3-yl)benzamide
CID 103863806
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
2-chloro-4,5-difluoro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64556023
2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113372142
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976
4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
2-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116590511

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide (CID 75519360) is 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide is CCC(C)(CO)NC(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide?
The InChIKey is PTYZNSLMXLHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-13(3,8-16)15-12(17)11-6-5-10(14)7-9(11)2/h5-7,16H,4,8H2,1-3H3,(H,15,17).
What are the key properties of 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide?
4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-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 4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 75519360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).