2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide

C11H11ClF3NO2 — CID 106502037

IUPAC2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C11H11ClF3NO2/c12-9-3-2-7(17)6-8(9)10(18)16-5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2,(H,16,18)
InChIKeyJVHQFGFXWRGCFE-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide

2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 106502037) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID106502037
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C11H11ClF3NO2/c12-9-3-2-7(17)6-8(9)10(18)16-5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2,(H,16,18)
InChIKeyJVHQFGFXWRGCFE-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide (CID 106502037) is 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide is O=C(NCCCC(F)(F)F)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is JVHQFGFXWRGCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c12-9-3-2-7(17)6-8(9)10(18)16-5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2,(H,16,18).
What are the key properties of 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide?
2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 281.66 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 106502037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).