5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C15H11ClF3NO2 — CID 122186124

IUPAC5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClF3NO2/c16-11-5-6-13(21)12(7-11)14(22)20-8-9-1-3-10(4-2-9)15(17,18)19/h1-7,21H,8H2,(H,20,22)
InChIKeyVXZOZBODUQZUJP-UHFFFAOYSA-N
MW329.71 g/mol
LogP3.99
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 122186124) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID122186124
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Name5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H11ClF3NO2/c16-11-5-6-13(21)12(7-11)14(22)20-8-9-1-3-10(4-2-9)15(17,18)19/h1-7,21H,8H2,(H,20,22)
InChIKeyVXZOZBODUQZUJP-UHFFFAOYSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 122186124) is 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is VXZOZBODUQZUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c16-11-5-6-13(21)12(7-11)14(22)20-8-9-1-3-10(4-2-9)15(17,18)19/h1-7,21H,8H2,(H,20,22).
What are the key properties of 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 329.71 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 122186124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).