2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide

C13H18FNO2 — CID 104917662

IUPAC2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H18FNO2/c1-8(2)9(3)15(4)13(17)12-10(14)6-5-7-11(12)16/h5-9,16H,1-4H3
InChIKeyVIOVJNJUULGYHS-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.65
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide

2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 104917662) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID104917662
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(C)C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H18FNO2/c1-8(2)9(3)15(4)13(17)12-10(14)6-5-7-11(12)16/h5-9,16H,1-4H3
InChIKeyVIOVJNJUULGYHS-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 55210661
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043567
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432
N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107017124
2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 61202324
N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
CID 107689068
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
2-amino-6-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 81420291
N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107013042
2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107015376

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide (CID 104917662) is 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)N(C)C(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is VIOVJNJUULGYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8(2)9(3)15(4)13(17)12-10(14)6-5-7-11(12)16/h5-9,16H,1-4H3.
What are the key properties of 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 239.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 104917662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).