2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide

C23H20FNO2 — CID 123235562

IUPAC2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide
SMILESCNC(=O)C1=C(c2ccc(F)cc2)OC2=CC(C)=C(c3ccccc3)CC21
InChIInChI=1S/C23H20FNO2/c1-14-12-20-19(13-18(14)15-6-4-3-5-7-15)21(23(26)25-2)22(27-20)16-8-10-17(24)11-9-16/h3-12,19H,13H2,1-2H3,(H,25,26)
InChIKeyAYRAZENDIKBWKD-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.69
Rot. Bonds3

About 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide (PubChem CID 123235562) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide
PubChem CID123235562
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide
SMILESCNC(=O)C1=C(c2ccc(F)cc2)OC2=CC(C)=C(c3ccccc3)CC21
InChIInChI=1S/C23H20FNO2/c1-14-12-20-19(13-18(14)15-6-4-3-5-7-15)21(23(26)25-2)22(27-20)16-8-10-17(24)11-9-16/h3-12,19H,13H2,1-2H3,(H,25,26)
InChIKeyAYRAZENDIKBWKD-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide (CID 123235562) is 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide is CNC(=O)C1=C(c2ccc(F)cc2)OC2=CC(C)=C(c3ccccc3)CC21.
What is the InChIKey of 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is AYRAZENDIKBWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-14-12-20-19(13-18(14)15-6-4-3-5-7-15)21(23(26)25-2)22(27-20)16-8-10-17(24)11-9-16/h3-12,19H,13H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 123235562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).