N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide

C14H11F3N2O2 — CID 61297683

IUPACN-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)c(O)c1F)c1cccc(N)c1
InChIInChI=1S/C14H11F3N2O2/c1-19(8-4-2-3-7(18)5-8)14(21)9-6-10(15)12(17)13(20)11(9)16/h2-6,20H,18H2,1H3
InChIKeyLPFPISDZIWRNJF-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.67
Rot. Bonds2

About N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide

N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide (PubChem CID 61297683) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
PubChem CID61297683
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)c(O)c1F)c1cccc(N)c1
InChIInChI=1S/C14H11F3N2O2/c1-19(8-4-2-3-7(18)5-8)14(21)9-6-10(15)12(17)13(20)11(9)16/h2-6,20H,18H2,1H3
InChIKeyLPFPISDZIWRNJF-UHFFFAOYSA-N
XLogP2.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
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-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881879
N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 61297313
N-(3-aminophenyl)-N,2,3-trimethylbenzamide
CID 61296941
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
N-(3-aminophenyl)-4-bromo-2-chloro-N-methylbenzamide
CID 61295815
2-amino-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733131
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898
N-(3-aminophenyl)-N,4-dimethylbenzamide
CID 61296197
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
2-amino-5-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733144

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide?
The IUPAC name of N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide (CID 61297683) is N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide is CN(C(=O)c1cc(F)c(F)c(O)c1F)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide?
The InChIKey is LPFPISDZIWRNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-19(8-4-2-3-7(18)5-8)14(21)9-6-10(15)12(17)13(20)11(9)16/h2-6,20H,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide?
N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide has a molecular weight of 296.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide is sourced from PubChem (CID 61297683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).