5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

C14H11F3N2O2 — CID 121356240

IUPAC5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)8-2-1-3-10(6-8)19-13(21)11-7-9(18)4-5-12(11)20/h1-7,20H,18H2,(H,19,21)
InChIKeyWSOJTOABHKHKAU-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.25
Rot. Bonds2

About 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 121356240) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID121356240
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)8-2-1-3-10(6-8)19-13(21)11-7-9(18)4-5-12(11)20/h1-7,20H,18H2,(H,19,21)
InChIKeyWSOJTOABHKHKAU-UHFFFAOYSA-N
XLogP3.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107073831
2-hydroxy-5-(4-phenylbenzoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22081571
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 118986422
2-amino-5-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 114921483
6-amino-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62238899
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 121356240) is 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is Nc1ccc(O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WSOJTOABHKHKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)8-2-1-3-10(6-8)19-13(21)11-7-9(18)4-5-12(11)20/h1-7,20H,18H2,(H,19,21).
What are the key properties of 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide?
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 296.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 121356240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).