3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide

C18H15F4NO3 — CID 92759603

IUPAC3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc2c(c1)C[C@H](CNC(=O)c1cc(F)cc(C(F)(F)F)c1)O2
InChIInChI=1S/C18H15F4NO3/c1-25-14-2-3-16-10(6-14)7-15(26-16)9-23-17(24)11-4-12(18(20,21)22)8-13(19)5-11/h2-6,8,15H,7,9H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyPTKSKPXUUJSNRS-OAHLLOKOSA-N
MW369.31 g/mol
LogP3.59
Rot. Bonds4

About 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 92759603) has the molecular formula C18H15F4NO3 and a molecular weight of 369.31 g/mol. Its IUPAC name is 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide
PubChem CID92759603
Molecular FormulaC18H15F4NO3
Molecular Weight369.31 g/mol
Exact Mass369.10
IUPAC Name3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc2c(c1)C[C@H](CNC(=O)c1cc(F)cc(C(F)(F)F)c1)O2
InChIInChI=1S/C18H15F4NO3/c1-25-14-2-3-16-10(6-14)7-15(26-16)9-23-17(24)11-4-12(18(20,21)22)8-13(19)5-11/h2-6,8,15H,7,9H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyPTKSKPXUUJSNRS-OAHLLOKOSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide (CID 92759603) is 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide is COc1ccc2c(c1)C[C@H](CNC(=O)c1cc(F)cc(C(F)(F)F)c1)O2.
What is the InChIKey of 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is PTKSKPXUUJSNRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15F4NO3/c1-25-14-2-3-16-10(6-14)7-15(26-16)9-23-17(24)11-4-12(18(20,21)22)8-13(19)5-11/h2-6,8,15H,7,9H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 369.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 92759603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).