N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide

C15H9F3N2O2 — CID 58230860

IUPACN-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide
SMILESN#Cc1ccc(O)c(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-4-2-1-3-10(11)14(22)20-12-7-9(8-19)5-6-13(12)21/h1-7,21H,(H,20,22)
InChIKeyACLDJSSYAQXSAT-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.53
Rot. Bonds2

About N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide

N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 58230860) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide
PubChem CID58230860
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC NameN-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide
SMILESN#Cc1ccc(O)c(NC(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)11-4-2-1-3-10(11)14(22)20-12-7-9(8-19)5-6-13(12)21/h1-7,21H,(H,20,22)
InChIKeyACLDJSSYAQXSAT-UHFFFAOYSA-N
XLogP3.53
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
4-cyano-N-methyl-2-(trifluoromethyl)benzamide
CID 58243803
N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863
N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 2524391
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 1259866
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
4-[(2-hydroxyphenyl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 43687054
N-(2-bromo-5-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 103753432
2-chloro-N-(5-cyano-2-hydroxyphenyl)acetamide
CID 89084305

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide (CID 58230860) is N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide is N#Cc1ccc(O)c(NC(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is ACLDJSSYAQXSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)11-4-2-1-3-10(11)14(22)20-12-7-9(8-19)5-6-13(12)21/h1-7,21H,(H,20,22).
What are the key properties of N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide?
N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 306.24 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-hydroxyphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 58230860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).