2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide

C14H11ClF3NO2 — CID 2612750

IUPAC2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc(Cl)c2ccccc12)NCC(F)(F)F
InChIInChI=1S/C14H11ClF3NO2/c15-11-5-6-12(10-4-2-1-3-9(10)11)21-7-13(20)19-8-14(16,17)18/h1-6H,7-8H2,(H,19,20)
InChIKeyOGKJUTMFOGXASJ-UHFFFAOYSA-N
MW317.69 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide

2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2612750) has the molecular formula C14H11ClF3NO2 and a molecular weight of 317.69 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2612750
Molecular FormulaC14H11ClF3NO2
Molecular Weight317.69 g/mol
Exact Mass317.04
IUPAC Name2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc(Cl)c2ccccc12)NCC(F)(F)F
InChIInChI=1S/C14H11ClF3NO2/c15-11-5-6-12(10-4-2-1-3-9(10)11)21-7-13(20)19-8-14(16,17)18/h1-6H,7-8H2,(H,19,20)
InChIKeyOGKJUTMFOGXASJ-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 2612750) is 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1ccc(Cl)c2ccccc12)NCC(F)(F)F.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OGKJUTMFOGXASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2/c15-11-5-6-12(10-4-2-1-3-9(10)11)21-7-13(20)19-8-14(16,17)18/h1-6H,7-8H2,(H,19,20).
What are the key properties of 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 317.69 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2612750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).