2,3,4-trifluoro-N-phenylmethoxybenzamide

C14H10F3NO2 — CID 79749238

IUPAC2,3,4-trifluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO2/c15-11-7-6-10(12(16)13(11)17)14(19)18-20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)
InChIKeyKOJWFTIKYFGXNT-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.97
Rot. Bonds4

About 2,3,4-trifluoro-N-phenylmethoxybenzamide

2,3,4-trifluoro-N-phenylmethoxybenzamide (PubChem CID 79749238) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-phenylmethoxybenzamide
PubChem CID79749238
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2,3,4-trifluoro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10F3NO2/c15-11-7-6-10(12(16)13(11)17)14(19)18-20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)
InChIKeyKOJWFTIKYFGXNT-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-fluoro-N-phenylmethoxybenzamide
CID 106544153
2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
[2-oxo-2-(phenylmethoxyamino)ethyl] 2,3,4,5-tetrafluorobenzoate
CID 71887902
benzyl 2,3-difluorobenzoate
CID 62867579
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998
methyl 2-fluoro-5-[[2-(phenylmethoxycarbamoyl)anilino]methyl]benzoate
CID 58989778
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
2,5-dichloro-N-phenylmethoxythiophene-3-carboxamide
CID 41450667
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
2-bromo-5-methoxy-N-phenylmethoxybenzamide
CID 41248162

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-phenylmethoxybenzamide?
The IUPAC name of 2,3,4-trifluoro-N-phenylmethoxybenzamide (CID 79749238) is 2,3,4-trifluoro-N-phenylmethoxybenzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-phenylmethoxybenzamide?
The canonical SMILES for 2,3,4-trifluoro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-phenylmethoxybenzamide?
The InChIKey is KOJWFTIKYFGXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-11-7-6-10(12(16)13(11)17)14(19)18-20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19).
What are the key properties of 2,3,4-trifluoro-N-phenylmethoxybenzamide?
2,3,4-trifluoro-N-phenylmethoxybenzamide has a molecular weight of 281.23 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-phenylmethoxybenzamide is sourced from PubChem (CID 79749238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).