N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide

C19H20FNO2 — CID 75436679

IUPACN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC1c2cccc(F)c2CCC1C
InChIInChI=1S/C19H20FNO2/c1-11-9-10-14-15(6-3-7-16(14)20)18(11)21-19(23)13-5-4-8-17(22)12(13)2/h3-8,11,18,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyWGFINHDFYIKBFC-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.89
Rot. Bonds2

About N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide

N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide (PubChem CID 75436679) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide
PubChem CID75436679
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC NameN-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NC1c2cccc(F)c2CCC1C
InChIInChI=1S/C19H20FNO2/c1-11-9-10-14-15(6-3-7-16(14)20)18(11)21-19(23)13-5-4-8-17(22)12(13)2/h3-8,11,18,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyWGFINHDFYIKBFC-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide (CID 75436679) is N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NC1c2cccc(F)c2CCC1C.
What is the InChIKey of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide?
The InChIKey is WGFINHDFYIKBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-11-9-10-14-15(6-3-7-16(14)20)18(11)21-19(23)13-5-4-8-17(22)12(13)2/h3-8,11,18,22H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide?
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide has a molecular weight of 313.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 75436679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).