N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide

C10H13FN2O2 — CID 107015862

IUPACN-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CN)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C10H13FN2O2/c1-6(5-12)13-10(15)9-7(11)3-2-4-8(9)14/h2-4,6,14H,5,12H2,1H3,(H,13,15)
InChIKeyWQKVDSJRBVMHNI-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.61
Rot. Bonds3

About N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide

N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107015862) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID107015862
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CN)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C10H13FN2O2/c1-6(5-12)13-10(15)9-7(11)3-2-4-8(9)14/h2-4,6,14H,5,12H2,1H3,(H,13,15)
InChIKeyWQKVDSJRBVMHNI-UHFFFAOYSA-N
XLogP0.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107017120
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
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-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
CID 104877025
2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide (CID 107015862) is N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide is CC(CN)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is WQKVDSJRBVMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(5-12)13-10(15)9-7(11)3-2-4-8(9)14/h2-4,6,14H,5,12H2,1H3,(H,13,15).
What are the key properties of N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 212.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107015862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).