N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide

C14H11F3N2O2 — CID 54505317

IUPACN-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(O)Cc1ccncc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)12-3-1-11(2-4-12)13(20)19(21)9-10-5-7-18-8-6-10/h1-8,21H,9H2
InChIKeyYFGNXGUHMDGFDW-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.13
Rot. Bonds3

About N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide

N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 54505317) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID54505317
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC NameN-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(O)Cc1ccncc1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)12-3-1-11(2-4-12)13(20)19(21)9-10-5-7-18-8-6-10/h1-8,21H,9H2
InChIKeyYFGNXGUHMDGFDW-UHFFFAOYSA-N
XLogP3.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
CID 20615921
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
CID 177290710
N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methyl]-N'-methylpyridine-4-carbohydrazide
CID 87542760
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 42796231
pyridin-4-ylmethyl-[3-(trifluoromethyl)phenyl]carbamic acid
CID 66996492
N-(chloromethyl)-N-hydroxypyridine-4-carboxamide
CID 54251383
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide (CID 54505317) is N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)cc1)N(O)Cc1ccncc1.
What is the InChIKey of N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is YFGNXGUHMDGFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)12-3-1-11(2-4-12)13(20)19(21)9-10-5-7-18-8-6-10/h1-8,21H,9H2.
What are the key properties of N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide?
N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 296.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 54505317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).