2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide

C13H18FNO2 — CID 113356422

IUPAC2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(C)CCO)c1F
InChIInChI=1S/C13H18FNO2/c1-9-5-4-6-10(11(9)14)12(17)15-13(2,3)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyWZSQYGQJAHFMMB-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.02
Rot. Bonds4

About 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide

2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide (PubChem CID 113356422) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
PubChem CID113356422
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)(C)CCO)c1F
InChIInChI=1S/C13H18FNO2/c1-9-5-4-6-10(11(9)14)12(17)15-13(2,3)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyWZSQYGQJAHFMMB-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-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide
CID 103944788
2-[(2-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 81481164
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
2-bromo-N-(4-bromo-2-methylbutan-2-yl)-3-methylbenzamide
CID 107984046
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658
2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870194
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
1-(2,3-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754138

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide (CID 113356422) is 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide is Cc1cccc(C(=O)NC(C)(C)CCO)c1F.
What is the InChIKey of 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide?
The InChIKey is WZSQYGQJAHFMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-5-4-6-10(11(9)14)12(17)15-13(2,3)7-8-16/h4-6,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide?
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-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-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 113356422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).