2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide

C14H20FNO2 — CID 103895431

IUPAC2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C14H20FNO2/c1-9-6-7-11(15)10(8-9)12(17)16-13(2,3)14(4,5)18/h6-8,18H,1-5H3,(H,16,17)
InChIKeyDXXHQEYTFRFNNB-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.41
Rot. Bonds3

About 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide

2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide (PubChem CID 103895431) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
PubChem CID103895431
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C14H20FNO2/c1-9-6-7-11(15)10(8-9)12(17)16-13(2,3)14(4,5)18/h6-8,18H,1-5H3,(H,16,17)
InChIKeyDXXHQEYTFRFNNB-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
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2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
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2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
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CID 64551129
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CID 82724689
N-(2-cyanobutan-2-yl)-2-fluoro-5-methylbenzamide
CID 62514306
N-acetyl-2-fluoro-5-methylbenzamide
CID 62511698
2-amino-4,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106180006
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
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N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide (CID 103895431) is 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC(C)(C)C(C)(C)O)c1.
What is the InChIKey of 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide?
The InChIKey is DXXHQEYTFRFNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-6-7-11(15)10(8-9)12(17)16-13(2,3)14(4,5)18/h6-8,18H,1-5H3,(H,16,17).
What are the key properties of 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide?
2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide is sourced from PubChem (CID 103895431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).