2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide

C16H15F3N2O3 — CID 86789939

IUPAC2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide
SMILESCCCOc1cc(CNC(=O)c2cc(F)c(F)c(O)c2F)ccn1
InChIInChI=1S/C16H15F3N2O3/c1-2-5-24-12-6-9(3-4-20-12)8-21-16(23)10-7-11(17)14(19)15(22)13(10)18/h3-4,6-7,22H,2,5,8H2,1H3,(H,21,23)
InChIKeyNSHFULBTDWAFTH-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.92
Rot. Bonds6

About 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide

2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide (PubChem CID 86789939) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide
PubChem CID86789939
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide
SMILESCCCOc1cc(CNC(=O)c2cc(F)c(F)c(O)c2F)ccn1
InChIInChI=1S/C16H15F3N2O3/c1-2-5-24-12-6-9(3-4-20-12)8-21-16(23)10-7-11(17)14(19)15(22)13(10)18/h3-4,6-7,22H,2,5,8H2,1H3,(H,21,23)
InChIKeyNSHFULBTDWAFTH-UHFFFAOYSA-N
XLogP2.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide
CID 75500953
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 60891445
(2-propoxy-4-pyridinyl)methanol
CID 61256143
3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide
CID 86967623
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
5-fluoro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpyridine-2-carboxamide
CID 146080383
N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 43601777
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
ethane;2-(3-fluorophenyl)-N-[[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]methyl]acetamide
CID 171787042
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide (CID 86789939) is 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide is CCCOc1cc(CNC(=O)c2cc(F)c(F)c(O)c2F)ccn1.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is NSHFULBTDWAFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c1-2-5-24-12-6-9(3-4-20-12)8-21-16(23)10-7-11(17)14(19)15(22)13(10)18/h3-4,6-7,22H,2,5,8H2,1H3,(H,21,23).
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide?
2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 340.30 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 86789939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).