N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide

C14H11F3N2O2 — CID 60891445

IUPACN-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNc1ccc(CNC(=O)c2cc(F)c(F)c(O)c2F)cc1
InChIInChI=1S/C14H11F3N2O2/c15-10-5-9(11(16)13(20)12(10)17)14(21)19-6-7-1-3-8(18)4-2-7/h1-5,20H,6,18H2,(H,19,21)
InChIKeyOXRXDKWYSBXEKV-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.32
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide

N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 60891445) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID60891445
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESNc1ccc(CNC(=O)c2cc(F)c(F)c(O)c2F)cc1
InChIInChI=1S/C14H11F3N2O2/c15-10-5-9(11(16)13(20)12(10)17)14(21)19-6-7-1-3-8(18)4-2-7/h1-5,20H,6,18H2,(H,19,21)
InChIKeyOXRXDKWYSBXEKV-UHFFFAOYSA-N
XLogP2.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
N-[(4-aminophenyl)methyl]-2,6-difluorobenzamide
CID 60893159
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide
CID 86789939
2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide
CID 75500953
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
N-[(4-aminophenyl)methyl]-5-bromo-2-hydroxybenzamide
CID 107729215
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide (CID 60891445) is N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is Nc1ccc(CNC(=O)c2cc(F)c(F)c(O)c2F)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is OXRXDKWYSBXEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-10-5-9(11(16)13(20)12(10)17)14(21)19-6-7-1-3-8(18)4-2-7/h1-5,20H,6,18H2,(H,19,21).
What are the key properties of N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide?
N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 296.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 60891445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).