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

C14H10F3NO2 — CID 79749595

IUPAC2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CO)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO2/c15-10-6-5-9(12(16)13(10)17)14(20)18-11-4-2-1-3-8(11)7-19/h1-6,19H,7H2,(H,18,20)
InChIKeyAIZNZLBVQCPFBB-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.85
Rot. Bonds3

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

2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide (PubChem CID 79749595) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
PubChem CID79749595
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1CO)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO2/c15-10-6-5-9(12(16)13(10)17)14(20)18-11-4-2-1-3-8(11)7-19/h1-6,19H,7H2,(H,18,20)
InChIKeyAIZNZLBVQCPFBB-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.85
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

2,3,4-trifluoro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 79755148
N-(2-ethylphenyl)-2,3-difluorobenzamide
CID 62650811
2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 82815708
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
2,3,4-trifluoro-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90563080
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2,3,4-trifluorobenzamide
CID 110734426
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide (CID 79749595) is 2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide is O=C(Nc1ccccc1CO)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide?
The InChIKey is AIZNZLBVQCPFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-10-6-5-9(12(16)13(10)17)14(20)18-11-4-2-1-3-8(11)7-19/h1-6,19H,7H2,(H,18,20).
What are the key properties of 2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide?
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide has a molecular weight of 281.23 g/mol, XLogP of 2.85, 3 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-[2-(hydroxymethyl)phenyl]benzamide is sourced from PubChem (CID 79749595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).