2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

C12H16FNO3 — CID 104919951

IUPAC2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1c(O)cccc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,17)7-14(3)11(16)10-8(13)5-4-6-9(10)15/h4-6,15,17H,7H2,1-3H3
InChIKeyHUCMBQHSSFRRGJ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.37
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (PubChem CID 104919951) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
PubChem CID104919951
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1c(O)cccc1F
InChIInChI=1S/C12H16FNO3/c1-12(2,17)7-14(3)11(16)10-8(13)5-4-6-9(10)15/h4-6,15,17H,7H2,1-3H3
InChIKeyHUCMBQHSSFRRGJ-UHFFFAOYSA-N
XLogP1.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 103749107
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
CID 113258432
2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107015376
2,3,4,5,6-pentafluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79382052
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107014890
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016961
N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107017124
2-fluoro-6-hydroxy-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 107014722
ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate
CID 104917099
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
2-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429166

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (CID 104919951) is 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is CN(CC(C)(C)O)C(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The InChIKey is HUCMBQHSSFRRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-12(2,17)7-14(3)11(16)10-8(13)5-4-6-9(10)15/h4-6,15,17H,7H2,1-3H3.
What are the key properties of 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide has a molecular weight of 241.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is sourced from PubChem (CID 104919951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).