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

C14H11F3N2O2 — CID 115912202

IUPACN-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCc1ccc(N)c(NC(=O)c2cc(F)c(F)c(O)c2F)c1
InChIInChI=1S/C14H11F3N2O2/c1-6-2-3-9(18)10(4-6)19-14(21)7-5-8(15)12(17)13(20)11(7)16/h2-5,20H,18H2,1H3,(H,19,21)
InChIKeyUHNNVECGSGRJEU-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.95
Rot. Bonds2

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

N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 115912202) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID115912202
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCc1ccc(N)c(NC(=O)c2cc(F)c(F)c(O)c2F)c1
InChIInChI=1S/C14H11F3N2O2/c1-6-2-3-9(18)10(4-6)19-14(21)7-5-8(15)12(17)13(20)11(7)16/h2-5,20H,18H2,1H3,(H,19,21)
InChIKeyUHNNVECGSGRJEU-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107697532
N-(2-amino-5-methylphenyl)-2-hydroxy-5-methylbenzamide
CID 112557255
N-(2-amino-5-fluorophenyl)-2-hydroxy-5-methylbenzamide
CID 55169166
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580024
N-(2-amino-5-chlorophenyl)-2,5-dimethylbenzamide
CID 18072338
1-(2-amino-5-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892628
N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 64788897
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 115912202) is N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide is Cc1ccc(N)c(NC(=O)c2cc(F)c(F)c(O)c2F)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is UHNNVECGSGRJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-6-2-3-9(18)10(4-6)19-14(21)7-5-8(15)12(17)13(20)11(7)16/h2-5,20H,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 296.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 115912202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).