2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide

C17H11F3N2O2 — CID 75500953

IUPAC2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccnc2ccccc12)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H11F3N2O2/c18-12-7-11(14(19)16(23)15(12)20)17(24)22-8-9-5-6-21-13-4-2-1-3-10(9)13/h1-7,23H,8H2,(H,22,24)
InChIKeyIPVFRQMVZVKUIY-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.29
Rot. Bonds3

About 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide

2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide (PubChem CID 75500953) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide
PubChem CID75500953
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccnc2ccccc12)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C17H11F3N2O2/c18-12-7-11(14(19)16(23)15(12)20)17(24)22-8-9-5-6-21-13-4-2-1-3-10(9)13/h1-7,23H,8H2,(H,22,24)
InChIKeyIPVFRQMVZVKUIY-UHFFFAOYSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trifluoro-3-hydroxy-N-[(2-propoxy-4-pyridinyl)methyl]benzamide
CID 86789939
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 60891445
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
2-(2-fluorophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979329
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
CID 146075276
7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide
CID 112845243
2,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868097
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide (CID 75500953) is 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide is O=C(NCc1ccnc2ccccc12)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide?
The InChIKey is IPVFRQMVZVKUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-12-7-11(14(19)16(23)15(12)20)17(24)22-8-9-5-6-21-13-4-2-1-3-10(9)13/h1-7,23H,8H2,(H,22,24).
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide?
2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide has a molecular weight of 332.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-(quinolin-4-ylmethyl)benzamide is sourced from PubChem (CID 75500953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).