2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

C11H11ClF3NO3 — CID 106501858

IUPAC2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESO=C(NCCOCC(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C11H11ClF3NO3/c12-9-2-1-7(17)5-8(9)10(18)16-3-4-19-6-11(13,14)15/h1-2,5,17H,3-4,6H2,(H,16,18)
InChIKeyZZSYAIOYDRTPPV-UHFFFAOYSA-N
MW297.66 g/mol
LogP2.35
Rot. Bonds5

About 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (PubChem CID 106501858) has the molecular formula C11H11ClF3NO3 and a molecular weight of 297.66 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
PubChem CID106501858
Molecular FormulaC11H11ClF3NO3
Molecular Weight297.66 g/mol
Exact Mass297.04
IUPAC Name2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESO=C(NCCOCC(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C11H11ClF3NO3/c12-9-2-1-7(17)5-8(9)10(18)16-3-4-19-6-11(13,14)15/h1-2,5,17H,3-4,6H2,(H,16,18)
InChIKeyZZSYAIOYDRTPPV-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (CID 106501858) is 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is O=C(NCCOCC(F)(F)F)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The InChIKey is ZZSYAIOYDRTPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO3/c12-9-2-1-7(17)5-8(9)10(18)16-3-4-19-6-11(13,14)15/h1-2,5,17H,3-4,6H2,(H,16,18).
What are the key properties of 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide has a molecular weight of 297.66 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is sourced from PubChem (CID 106501858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).