N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide

C12H17FN2O2 — CID 107017120

IUPACN-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CN)C(C)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H17FN2O2/c1-7(6-14)8(2)15-12(17)11-9(13)4-3-5-10(11)16/h3-5,7-8,16H,6,14H2,1-2H3,(H,15,17)
InChIKeyBDWSTMWKAMMTHV-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.24
Rot. Bonds4

About N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide

N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107017120) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID107017120
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CN)C(C)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H17FN2O2/c1-7(6-14)8(2)15-12(17)11-9(13)4-3-5-10(11)16/h3-5,7-8,16H,6,14H2,1-2H3,(H,15,17)
InChIKeyBDWSTMWKAMMTHV-UHFFFAOYSA-N
XLogP1.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114154757
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-3-methylbenzamide
CID 113485144
N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
CID 107691210
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 104918352
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide (CID 107017120) is N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide is CC(CN)C(C)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is BDWSTMWKAMMTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-7(6-14)8(2)15-12(17)11-9(13)4-3-5-10(11)16/h3-5,7-8,16H,6,14H2,1-2H3,(H,15,17).
What are the key properties of N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide?
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107017120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).