3-[(2,3,6-trifluorophenyl)methoxy]benzamide

C14H10F3NO2 — CID 69123710

IUPAC3-[(2,3,6-trifluorophenyl)methoxy]benzamide
SMILESNC(=O)c1cccc(OCc2c(F)ccc(F)c2F)c1
InChIInChI=1S/C14H10F3NO2/c15-11-4-5-12(16)13(17)10(11)7-20-9-3-1-2-8(6-9)14(18)19/h1-6H,7H2,(H2,18,19)
InChIKeyVNPAEEREGZGSJN-UHFFFAOYSA-N
MW281.23 g/mol
LogP2.78
Rot. Bonds4

About 3-[(2,3,6-trifluorophenyl)methoxy]benzamide

3-[(2,3,6-trifluorophenyl)methoxy]benzamide (PubChem CID 69123710) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 3-[(2,3,6-trifluorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-[(2,3,6-trifluorophenyl)methoxy]benzamide
PubChem CID69123710
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name3-[(2,3,6-trifluorophenyl)methoxy]benzamide
SMILESNC(=O)c1cccc(OCc2c(F)ccc(F)c2F)c1
InChIInChI=1S/C14H10F3NO2/c15-11-4-5-12(16)13(17)10(11)7-20-9-3-1-2-8(6-9)14(18)19/h1-6H,7H2,(H2,18,19)
InChIKeyVNPAEEREGZGSJN-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 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 ≤ 52.78
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

3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(5,6-difluoro-1H-indol-2-yl)methoxy]benzamide
CID 22568421
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
4-[3-[(2,6-difluorophenyl)methoxy]phenyl]-2,4-dioxobutanoic acid
CID 510635
3-propoxybenzamide
CID 22311435
2-amino-3-(3-carbamoylphenoxy)propanoic acid
CID 65442579
4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
CID 106264107
ethyl 5-[3-[(2,3,6-trifluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
CID 44819890

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,6-trifluorophenyl)methoxy]benzamide?
The IUPAC name of 3-[(2,3,6-trifluorophenyl)methoxy]benzamide (CID 69123710) is 3-[(2,3,6-trifluorophenyl)methoxy]benzamide.
What is the SMILES notation for 3-[(2,3,6-trifluorophenyl)methoxy]benzamide?
The canonical SMILES for 3-[(2,3,6-trifluorophenyl)methoxy]benzamide is NC(=O)c1cccc(OCc2c(F)ccc(F)c2F)c1.
What is the InChIKey of 3-[(2,3,6-trifluorophenyl)methoxy]benzamide?
The InChIKey is VNPAEEREGZGSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-11-4-5-12(16)13(17)10(11)7-20-9-3-1-2-8(6-9)14(18)19/h1-6H,7H2,(H2,18,19).
What are the key properties of 3-[(2,3,6-trifluorophenyl)methoxy]benzamide?
3-[(2,3,6-trifluorophenyl)methoxy]benzamide has a molecular weight of 281.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,6-trifluorophenyl)methoxy]benzamide is sourced from PubChem (CID 69123710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).