4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide

C14H9F4NO2 — CID 17424462

IUPAC4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C14H9F4NO2/c15-9-5-10(16)12(18)13(11(9)17)21-6-7-1-3-8(4-2-7)14(19)20/h1-5H,6H2,(H2,19,20)
InChIKeyDPQONPBRQRSXRF-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.92
Rot. Bonds4

About 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide

4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide (PubChem CID 17424462) has the molecular formula C14H9F4NO2 and a molecular weight of 299.22 g/mol. Its IUPAC name is 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
PubChem CID17424462
Molecular FormulaC14H9F4NO2
Molecular Weight299.22 g/mol
Exact Mass299.06
IUPAC Name4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C14H9F4NO2/c15-9-5-10(16)12(18)13(11(9)17)21-6-7-1-3-8(4-2-7)14(19)20/h1-5H,6H2,(H2,19,20)
InChIKeyDPQONPBRQRSXRF-UHFFFAOYSA-N
XLogP2.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoate
CID 19298385
4-[(4-bromo-3-fluorophenoxy)methyl]benzamide
CID 63999852
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
CID 27313029
2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544338
N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19292392
4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
CID 103758758
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
4-[[4-(methylamino)phenoxy]methyl]benzamide
CID 54908957
4-[[2-(dimethylsulfamoyl)-5-ethenyl-3,4,6-trifluorophenoxy]methyl]benzamide
CID 155578559

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide?
The IUPAC name of 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide (CID 17424462) is 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide.
What is the SMILES notation for 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide?
The canonical SMILES for 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide is NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide?
The InChIKey is DPQONPBRQRSXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO2/c15-9-5-10(16)12(18)13(11(9)17)21-6-7-1-3-8(4-2-7)14(19)20/h1-5H,6H2,(H2,19,20).
What are the key properties of 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide?
4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide has a molecular weight of 299.22 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide is sourced from PubChem (CID 17424462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).