5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide

C14H8ClF4NO2 — CID 122186122

IUPAC5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1F)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8ClF4NO2/c15-8-2-4-12(21)9(6-8)13(22)20-11-3-1-7(5-10(11)16)14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyMOEQNAAPWWDQBU-UHFFFAOYSA-N
MW333.67 g/mol
LogP4.46
Rot. Bonds2

About 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide

5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide (PubChem CID 122186122) has the molecular formula C14H8ClF4NO2 and a molecular weight of 333.67 g/mol. Its IUPAC name is 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide
PubChem CID122186122
Molecular FormulaC14H8ClF4NO2
Molecular Weight333.67 g/mol
Exact Mass333.02
IUPAC Name5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1F)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8ClF4NO2/c15-8-2-4-12(21)9(6-8)13(22)20-11-3-1-7(5-10(11)16)14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyMOEQNAAPWWDQBU-UHFFFAOYSA-N
XLogP4.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.67
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide (CID 122186122) is 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide is O=C(Nc1ccc(C(F)(F)F)cc1F)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is MOEQNAAPWWDQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NO2/c15-8-2-4-12(21)9(6-8)13(22)20-11-3-1-7(5-10(11)16)14(17,18)19/h1-6,21H,(H,20,22).
What are the key properties of 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 333.67 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 122186122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).