3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide

C20H20FNO3 — CID 58055264

IUPAC3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cc(F)cc(-c2ccc3c(c2)CC(C(=O)CO)CC3)c1
InChIInChI=1S/C20H20FNO3/c1-22-20(25)17-8-16(9-18(21)10-17)13-4-2-12-3-5-14(19(24)11-23)7-15(12)6-13/h2,4,6,8-10,14,23H,3,5,7,11H2,1H3,(H,22,25)
InChIKeyWJOAQJWQJPFXAT-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.52
Rot. Bonds4

About 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide

3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide (PubChem CID 58055264) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide
PubChem CID58055264
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cc(F)cc(-c2ccc3c(c2)CC(C(=O)CO)CC3)c1
InChIInChI=1S/C20H20FNO3/c1-22-20(25)17-8-16(9-18(21)10-17)13-4-2-12-3-5-14(19(24)11-23)7-15(12)6-13/h2,4,6,8-10,14,23H,3,5,7,11H2,1H3,(H,22,25)
InChIKeyWJOAQJWQJPFXAT-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171344174
3-(4-Fluorophenyl)-4-(3-hydroxypropyl)benzamide
CID 122623278
N-(2-cyclohexyl-2-hydroxyethyl)-1-naphthamide
CID 56764294
2-fluoro-N-((2-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl)benzamide
CID 71803539
2'-acetyl-5'-fluoro-N-[1-(hydroxymethyl)cyclohexyl]biphenyl-3-carboxamide
CID 121512325
4-fluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 10018193
2,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 10314342
2,3-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 10336551
3,4-difluoro-N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 10381777
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-hexyl-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxamide
CID 18794630
3-fluoro-N-(2-hydroxy-1-naphthalen-2-ylethyl)benzamide
CID 22144972

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The IUPAC name of 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide (CID 58055264) is 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide is CNC(=O)c1cc(F)cc(-c2ccc3c(c2)CC(C(=O)CO)CC3)c1.
What is the InChIKey of 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
The InChIKey is WJOAQJWQJPFXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-22-20(25)17-8-16(9-18(21)10-17)13-4-2-12-3-5-14(19(24)11-23)7-15(12)6-13/h2,4,6,8-10,14,23H,3,5,7,11H2,1H3,(H,22,25).
What are the key properties of 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide?
3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide has a molecular weight of 341.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-methylbenzamide is sourced from PubChem (CID 58055264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).