N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide

C11H15FN2O3 — CID 114154757

IUPACN-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCOCC(CN)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H15FN2O3/c1-17-6-7(5-13)14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5-6,13H2,1H3,(H,14,16)
InChIKeyXACUDZKPRFIITQ-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.23
Rot. Bonds5

About N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide

N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 114154757) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID114154757
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCOCC(CN)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C11H15FN2O3/c1-17-6-7(5-13)14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5-6,13H2,1H3,(H,14,16)
InChIKeyXACUDZKPRFIITQ-UHFFFAOYSA-N
XLogP0.23
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 106183536
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107017120
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
CID 106183426
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
2-fluoro-6-hydroxy-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 104918352
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide (CID 114154757) is N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide is COCC(CN)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is XACUDZKPRFIITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-17-6-7(5-13)14-11(16)10-8(12)3-2-4-9(10)15/h2-4,7,15H,5-6,13H2,1H3,(H,14,16).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide?
N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 242.25 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 114154757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).