2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide

C20H22FNO4 — CID 91631105

IUPAC2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)CCCC2(O)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C20H22FNO4/c1-25-17-8-9-18-14(11-17)3-2-10-20(18,24)13-22-19(23)12-26-16-6-4-15(21)5-7-16/h4-9,11,24H,2-3,10,12-13H2,1H3,(H,22,23)
InChIKeyXEPRYVTVRKXADJ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.55
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide (PubChem CID 91631105) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
PubChem CID91631105
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)CCCC2(O)CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C20H22FNO4/c1-25-17-8-9-18-14(11-17)3-2-10-20(18,24)13-22-19(23)12-26-16-6-4-15(21)5-7-16/h4-9,11,24H,2-3,10,12-13H2,1H3,(H,22,23)
InChIKeyXEPRYVTVRKXADJ-UHFFFAOYSA-N
XLogP2.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide (CID 91631105) is 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide is COc1ccc2c(c1)CCCC2(O)CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide?
The InChIKey is XEPRYVTVRKXADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-25-17-8-9-18-14(11-17)3-2-10-20(18,24)13-22-19(23)12-26-16-6-4-15(21)5-7-16/h4-9,11,24H,2-3,10,12-13H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 91631105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).