3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C18H19NO2 — CID 82782191

IUPAC3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1c(O)cccc1C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C18H19NO2/c1-12-14(9-5-11-17(12)20)18(21)19-16-10-4-7-13-6-2-3-8-15(13)16/h4-5,7,9-11,20H,2-3,6,8H2,1H3,(H,19,21)
InChIKeyJNNCMMMWXRIZCY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.83
Rot. Bonds2

About 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 82782191) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID82782191
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCc1c(O)cccc1C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C18H19NO2/c1-12-14(9-5-11-17(12)20)18(21)19-16-10-4-7-13-6-2-3-8-15(13)16/h4-5,7,9-11,20H,2-3,6,8H2,1H3,(H,19,21)
InChIKeyJNNCMMMWXRIZCY-UHFFFAOYSA-N
XLogP3.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 82782191) is 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is Cc1c(O)cccc1C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is JNNCMMMWXRIZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-14(9-5-11-17(12)20)18(21)19-16-10-4-7-13-6-2-3-8-15(13)16/h4-5,7,9-11,20H,2-3,6,8H2,1H3,(H,19,21).
What are the key properties of 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 82782191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).