2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide

C10H9ClF3NO2 — CID 106501817

IUPAC2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C10H9ClF3NO2/c11-8-2-1-6(16)5-7(8)9(17)15-4-3-10(12,13)14/h1-2,5,16H,3-4H2,(H,15,17)
InChIKeySLZPQAOFWLDJBD-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.73
Rot. Bonds3

About 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide

2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 106501817) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID106501817
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Name2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cc(O)ccc1Cl
InChIInChI=1S/C10H9ClF3NO2/c11-8-2-1-6(16)5-7(8)9(17)15-4-3-10(12,13)14/h1-2,5,16H,3-4H2,(H,15,17)
InChIKeySLZPQAOFWLDJBD-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide (CID 106501817) is 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is SLZPQAOFWLDJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c11-8-2-1-6(16)5-7(8)9(17)15-4-3-10(12,13)14/h1-2,5,16H,3-4H2,(H,15,17).
What are the key properties of 2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide?
2-chloro-5-hydroxy-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 267.63 g/mol, XLogP of 2.73, 3 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-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 106501817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).