N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide

C13H16N2O2 — CID 43594423

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC2C3CNCC32)c1
InChIInChI=1S/C13H16N2O2/c1-7-2-3-11(16)8(4-7)13(17)15-12-9-5-14-6-10(9)12/h2-4,9-10,12,14,16H,5-6H2,1H3,(H,15,17)
InChIKeySXKMHLGMPCOSFD-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.65
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide (PubChem CID 43594423) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide
PubChem CID43594423
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)NC2C3CNCC32)c1
InChIInChI=1S/C13H16N2O2/c1-7-2-3-11(16)8(4-7)13(17)15-12-9-5-14-6-10(9)12/h2-4,9-10,12,14,16H,5-6H2,1H3,(H,15,17)
InChIKeySXKMHLGMPCOSFD-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-2-nitrobenzamide
CID 65460445
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide
CID 43594388
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide
CID 65312004
N-(2,3-dihydro-1H-inden-2-yl)-2-hydroxy-5-methylbenzamide
CID 104693636
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylfuran-3-carboxamide
CID 43594332
2-hydroxy-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457521
N-[2-(cyclopropylamino)-2-oxoethyl]-2-hydroxy-5-methylbenzamide
CID 43420144
N-[4-(ethylamino)cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 43653300
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573
2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide
CID 96525480
2-hydroxy-5-methyl-N-(2-propylcyclopropyl)benzamide
CID 113246155
2-hydroxy-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-5-methylbenzamide
CID 91765257

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide (CID 43594423) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide is Cc1ccc(O)c(C(=O)NC2C3CNCC32)c1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide?
The InChIKey is SXKMHLGMPCOSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-2-3-11(16)8(4-7)13(17)15-12-9-5-14-6-10(9)12/h2-4,9-10,12,14,16H,5-6H2,1H3,(H,15,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 43594423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).