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

C9H8F3NO3 — CID 43501008

IUPAC2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C9H8F3NO3/c10-5-3-4(9(16)13-1-2-14)6(11)8(15)7(5)12/h3,14-15H,1-2H2,(H,13,16)
InChIKeyGGELKYWKXPIUKV-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.53
Rot. Bonds3

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

2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide (PubChem CID 43501008) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
PubChem CID43501008
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C9H8F3NO3/c10-5-3-4(9(16)13-1-2-14)6(11)8(15)7(5)12/h3,14-15H,1-2H2,(H,13,16)
InChIKeyGGELKYWKXPIUKV-UHFFFAOYSA-N
XLogP0.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 43601777
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76948281
2-methyl-4-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 80538589
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 99854560
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 115319640
N-(azetidin-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 66187235
N-[(4-aminophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 60891445
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
2,4,5-trifluoro-3-hydroxy-N-(1-hydroxypentan-3-yl)benzamide
CID 104580624
N-[(4-aminocyclohexyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106124653
N-(2-cyanopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 62651111

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide (CID 43501008) is 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide?
The InChIKey is GGELKYWKXPIUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-5-3-4(9(16)13-1-2-14)6(11)8(15)7(5)12/h3,14-15H,1-2H2,(H,13,16).
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide?
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide has a molecular weight of 235.16 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 43501008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).