2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide

C14H9ClF3NO3 — CID 53222149

IUPAC2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(-c2cc(O)cc(OC(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO3/c15-12-2-1-7(5-11(12)13(19)21)8-3-9(20)6-10(4-8)22-14(16,17)18/h1-6,20H,(H2,19,21)
InChIKeyYCOLMIAAFJFFLX-UHFFFAOYSA-N
MW331.68 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide

2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide (PubChem CID 53222149) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
PubChem CID53222149
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1cc(-c2cc(O)cc(OC(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO3/c15-12-2-1-7(5-11(12)13(19)21)8-3-9(20)6-10(4-8)22-14(16,17)18/h1-6,20H,(H2,19,21)
InChIKeyYCOLMIAAFJFFLX-UHFFFAOYSA-N
XLogP3.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067
5-(3-bromo-5-hydroxyphenyl)-2-chlorobenzamide
CID 53221867
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222099
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222015
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221967
3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
CID 53221916
2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 170794904

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide (CID 53222149) is 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide is NC(=O)c1cc(-c2cc(O)cc(OC(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is YCOLMIAAFJFFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c15-12-2-1-7(5-11(12)13(19)21)8-3-9(20)6-10(4-8)22-14(16,17)18/h1-6,20H,(H2,19,21).
What are the key properties of 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide?
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 331.68 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 53222149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).