N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide

C13H9F3N2O3 — CID 107697532

IUPACN-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNc1cc(O)ccc1NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C13H9F3N2O3/c14-7-4-6(10(15)12(20)11(7)16)13(21)18-9-2-1-5(19)3-8(9)17/h1-4,19-20H,17H2,(H,18,21)
InChIKeyMAHJECCKQXDMHK-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.35
Rot. Bonds2

About N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide

N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 107697532) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID107697532
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC NameN-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNc1cc(O)ccc1NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C13H9F3N2O3/c14-7-4-6(10(15)12(20)11(7)16)13(21)18-9-2-1-5(19)3-8(9)17/h1-4,19-20H,17H2,(H,18,21)
InChIKeyMAHJECCKQXDMHK-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 64788897
N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115912202
N-(2-amino-4-hydroxyphenyl)-2-fluoro-4-methoxybenzamide
CID 107697209
N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
N-(2-amino-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 107697510
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580024
N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580540
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 103479739
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
2,4,5-trifluoro-N-(4-formylphenyl)-3-hydroxybenzamide
CID 106912207
2,5-dihydroxy-N-(2,3,4-trifluorophenyl)benzamide
CID 107722274
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 107697532) is N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide is Nc1cc(O)ccc1NC(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is MAHJECCKQXDMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-7-4-6(10(15)12(20)11(7)16)13(21)18-9-2-1-5(19)3-8(9)17/h1-4,19-20H,17H2,(H,18,21).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 298.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 107697532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).