3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide

C15H12F3NO3 — CID 111116250

IUPAC3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H12F3NO3/c16-12-7-9(8-13(17)14(12)18)15(21)19-10-1-3-11(4-2-10)22-6-5-20/h1-4,7-8,20H,5-6H2,(H,19,21)
InChIKeyZMXHWCDGWWCFNX-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.73
Rot. Bonds5

About 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide

3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide (PubChem CID 111116250) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
PubChem CID111116250
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OCCO)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H12F3NO3/c16-12-7-9(8-13(17)14(12)18)15(21)19-10-1-3-11(4-2-10)22-6-5-20/h1-4,7-8,20H,5-6H2,(H,19,21)
InChIKeyZMXHWCDGWWCFNX-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
CID 111116205
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
N-[4-(2-hydroxyethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 111113144
N-[4-(2-aminoethoxy)phenyl]-3,5-dimethylbenzamide
CID 43369278
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
3-bromo-4-fluoro-N-(4-propoxyphenyl)benzamide
CID 107952344

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide (CID 111116250) is 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide is O=C(Nc1ccc(OCCO)cc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide?
The InChIKey is ZMXHWCDGWWCFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-12-7-9(8-13(17)14(12)18)15(21)19-10-1-3-11(4-2-10)22-6-5-20/h1-4,7-8,20H,5-6H2,(H,19,21).
What are the key properties of 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide?
3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide has a molecular weight of 311.26 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide is sourced from PubChem (CID 111116250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).