N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide

C17H13F4NO2 — CID 46090263

IUPACN-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1Cc2cccc(F)c2O1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F4NO2/c18-14-7-3-4-10-8-11(24-15(10)14)9-22-16(23)12-5-1-2-6-13(12)17(19,20)21/h1-7,11H,8-9H2,(H,22,23)
InChIKeyBGFTZEVWFBERAB-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.58
Rot. Bonds3

About N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 46090263) has the molecular formula C17H13F4NO2 and a molecular weight of 339.29 g/mol. Its IUPAC name is N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID46090263
Molecular FormulaC17H13F4NO2
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC NameN-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC1Cc2cccc(F)c2O1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F4NO2/c18-14-7-3-4-10-8-11(24-15(10)14)9-22-16(23)12-5-1-2-6-13(12)17(19,20)21/h1-7,11H,8-9H2,(H,22,23)
InChIKeyBGFTZEVWFBERAB-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide (CID 46090263) is N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCC1Cc2cccc(F)c2O1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is BGFTZEVWFBERAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO2/c18-14-7-3-4-10-8-11(24-15(10)14)9-22-16(23)12-5-1-2-6-13(12)17(19,20)21/h1-7,11H,8-9H2,(H,22,23).
What are the key properties of N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 339.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 46090263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).