N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide

C15H13F3N2O2 — CID 143654172

IUPACN-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(O)cc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C15H13F3N2O2/c1-8-2-3-11(7-13(8)19)20-14(22)9-4-10(15(16,17)18)6-12(21)5-9/h2-7,21H,19H2,1H3,(H,20,22)
InChIKeyOBQKWPMIWKGYPH-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.55
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide

N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide (PubChem CID 143654172) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide
PubChem CID143654172
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(O)cc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C15H13F3N2O2/c1-8-2-3-11(7-13(8)19)20-14(22)9-4-10(15(16,17)18)6-12(21)5-9/h2-7,21H,19H2,1H3,(H,20,22)
InChIKeyOBQKWPMIWKGYPH-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

1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
N-[3-(diaminomethylideneamino)-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 11553181
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
3-hydroxy-N-methyl-5-(trifluoromethyl)benzamide
CID 67415645
N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
CID 107703359
N-(3-ethynyl-4-methylphenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 122419174
N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide
CID 11501041
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide (CID 143654172) is N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(O)cc(C(F)(F)F)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide?
The InChIKey is OBQKWPMIWKGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-8-2-3-11(7-13(8)19)20-14(22)9-4-10(15(16,17)18)6-12(21)5-9/h2-7,21H,19H2,1H3,(H,20,22).
What are the key properties of N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide?
N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide 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-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 143654172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).