N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide

C19H20FNO3 — CID 42899587

IUPACN-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc3c2CCCC3O)cc1F
InChIInChI=1S/C19H20FNO3/c1-12-8-9-13(10-16(12)20)21-19(23)11-24-18-7-3-4-14-15(18)5-2-6-17(14)22/h3-4,7-10,17,22H,2,5-6,11H2,1H3,(H,21,23)
InChIKeyRWBHFVVJIIZMMH-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.52
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide

N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide (PubChem CID 42899587) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
PubChem CID42899587
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc3c2CCCC3O)cc1F
InChIInChI=1S/C19H20FNO3/c1-12-8-9-13(10-16(12)20)21-19(23)11-24-18-7-3-4-14-15(18)5-2-6-17(14)22/h3-4,7-10,17,22H,2,5-6,11H2,1H3,(H,21,23)
InChIKeyRWBHFVVJIIZMMH-UHFFFAOYSA-N
XLogP3.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921920
N-(3,4-dimethoxyphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899628
N-(3-chlorophenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921895
N-(2,6-dimethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899606
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921754
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899592
N-[4-(difluoromethoxy)phenyl]-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921778
N-(2,6-diethylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide
CID 42899618
2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 40811879
N-(2,4-dimethoxyphenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921750
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-(2-propan-2-ylphenyl)acetamide
CID 42899623

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide (CID 42899587) is N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide is Cc1ccc(NC(=O)COc2cccc3c2CCCC3O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
The InChIKey is RWBHFVVJIIZMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-12-8-9-13(10-16(12)20)21-19(23)11-24-18-7-3-4-14-15(18)5-2-6-17(14)22/h3-4,7-10,17,22H,2,5-6,11H2,1H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide has a molecular weight of 329.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetamide is sourced from PubChem (CID 42899587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).