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

C10H10F3NO4 — CID 82722465

IUPAC2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C10H10F3NO4/c1-17-2-3-18-14-10(16)5-4-6(11)8(13)9(15)7(5)12/h4,15H,2-3H2,1H3,(H,14,16)
InChIKeyNVGYQKGFWFLRRY-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.12
Rot. Bonds5

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

2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide (PubChem CID 82722465) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide
PubChem CID82722465
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide
SMILESCOCCONC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C10H10F3NO4/c1-17-2-3-18-14-10(16)5-4-6(11)8(13)9(15)7(5)12/h4,15H,2-3H2,1H3,(H,14,16)
InChIKeyNVGYQKGFWFLRRY-UHFFFAOYSA-N
XLogP1.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
N-(1-aminopropan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 63731123
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106124653
2-amino-1-(2,4,5-trifluoro-3-hydroxyphenyl)ethanone
CID 117115595
2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
CID 82722467
2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 43469590
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
methyl 3-(4,5-difluoro-2,3-dihydroxyphenyl)-3-oxopropanoate
CID 141416717
N-[3-(bromomethyl)pentan-3-yl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 114315321

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide (CID 82722465) is 2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide is COCCONC(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide?
The InChIKey is NVGYQKGFWFLRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-17-2-3-18-14-10(16)5-4-6(11)8(13)9(15)7(5)12/h4,15H,2-3H2,1H3,(H,14,16).
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide?
2,4,5-trifluoro-3-hydroxy-N-(2-methoxyethoxy)benzamide has a molecular weight of 265.19 g/mol, XLogP of 1.12, 5 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-methoxyethoxy)benzamide is sourced from PubChem (CID 82722465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).