N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide

C20H18FNO3 — CID 112837285

IUPACN-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide
SMILESCCOc1cc(F)ccc1NC(=O)COc1cccc2ccccc12
InChIInChI=1S/C20H18FNO3/c1-2-24-19-12-15(21)10-11-17(19)22-20(23)13-25-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyIZFNGMGDNRMWGK-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.40
Rot. Bonds6

About N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide

N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide (PubChem CID 112837285) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide
PubChem CID112837285
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide
SMILESCCOc1cc(F)ccc1NC(=O)COc1cccc2ccccc12
InChIInChI=1S/C20H18FNO3/c1-2-24-19-12-15(21)10-11-17(19)22-20(23)13-25-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyIZFNGMGDNRMWGK-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide (CID 112837285) is N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide is CCOc1cc(F)ccc1NC(=O)COc1cccc2ccccc12.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide?
The InChIKey is IZFNGMGDNRMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-2-24-19-12-15(21)10-11-17(19)22-20(23)13-25-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,2,13H2,1H3,(H,22,23).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide?
N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide has a molecular weight of 339.37 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 112837285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).