2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C15H12F3NO2 — CID 79755129

IUPAC2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12F3NO2/c16-12-5-4-11(13(17)14(12)18)15(21)19-7-9-2-1-3-10(6-9)8-20/h1-6,20H,7-8H2,(H,19,21)
InChIKeyOWEHHYGHNMMTQJ-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.53
Rot. Bonds4

About 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 79755129) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID79755129
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(CO)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12F3NO2/c16-12-5-4-11(13(17)14(12)18)15(21)19-7-9-2-1-3-10(6-9)8-20/h1-6,20H,7-8H2,(H,19,21)
InChIKeyOWEHHYGHNMMTQJ-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-2,3,4-trifluorobenzamide
CID 108924063
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 107210212
3-fluoro-N-[[3-(hydroxymethyl)phenyl]methyl]-5-methylbenzamide
CID 115663338
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 79755129) is 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(CO)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is OWEHHYGHNMMTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-12-5-4-11(13(17)14(12)18)15(21)19-7-9-2-1-3-10(6-9)8-20/h1-6,20H,7-8H2,(H,19,21).
What are the key properties of 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 79755129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).