2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide

C12H13ClF3NO2 — CID 106502038

IUPAC2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide
SMILESO=C(NCCCCC(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C12H13ClF3NO2/c13-10-4-3-8(18)7-9(10)11(19)17-6-2-1-5-12(14,15)16/h3-4,7,18H,1-2,5-6H2,(H,17,19)
InChIKeyMDYQPDYFJZQZIO-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.51
Rot. Bonds5

About 2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide

2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide (PubChem CID 106502038) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide
PubChem CID106502038
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Name2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide
SMILESO=C(NCCCCC(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C12H13ClF3NO2/c13-10-4-3-8(18)7-9(10)11(19)17-6-2-1-5-12(14,15)16/h3-4,7,18H,1-2,5-6H2,(H,17,19)
InChIKeyMDYQPDYFJZQZIO-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.51
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-(5,5,5-trifluoropentyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide (CID 106502038) is 2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide is O=C(NCCCCC(F)(F)F)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide?
The InChIKey is MDYQPDYFJZQZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c13-10-4-3-8(18)7-9(10)11(19)17-6-2-1-5-12(14,15)16/h3-4,7,18H,1-2,5-6H2,(H,17,19).
What are the key properties of 2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide?
2-chloro-5-hydroxy-N-(5,5,5-trifluoropentyl)benzamide has a molecular weight of 295.69 g/mol, XLogP of 3.51, 5 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-(5,5,5-trifluoropentyl)benzamide is sourced from PubChem (CID 106502038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).