N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide

C15H13F3N2O2 — CID 16776129

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2N)cc1O
InChIInChI=1S/C15H13F3N2O2/c1-8-2-3-9(6-13(8)21)14(22)20-12-5-4-10(7-11(12)19)15(16,17)18/h2-7,21H,19H2,1H3,(H,20,22)
InChIKeyJLBDRKPQWSUQDW-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.55
Rot. Bonds2

About N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide

N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide (PubChem CID 16776129) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
PubChem CID16776129
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2N)cc1O
InChIInChI=1S/C15H13F3N2O2/c1-8-2-3-9(6-13(8)21)14(22)20-12-5-4-10(7-11(12)19)15(16,17)18/h2-7,21H,19H2,1H3,(H,20,22)
InChIKeyJLBDRKPQWSUQDW-UHFFFAOYSA-N
XLogP3.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 102921222
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
3-amino-4-[(3,4-dimethylbenzoyl)amino]benzoic acid
CID 63117351
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-[2-amino-4-(trifluoromethyl)phenyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79975104
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide (CID 16776129) is N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2N)cc1O.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is JLBDRKPQWSUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-8-2-3-9(6-13(8)21)14(22)20-12-5-4-10(7-11(12)19)15(16,17)18/h2-7,21H,19H2,1H3,(H,20,22).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 310.28 g/mol, XLogP of 3.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 16776129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).