N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide

C21H21FN2O2 — CID 11131919

IUPACN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
SMILESCN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C21H21FN2O2/c1-24(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)26-20)23-21(25)13-3-5-14(22)6-4-13/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,23,25)
InChIKeyLQFFSGFXNACILA-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.24
Rot. Bonds3

About N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide

N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide (PubChem CID 11131919) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
PubChem CID11131919
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
SMILESCN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C21H21FN2O2/c1-24(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)26-20)23-21(25)13-3-5-14(22)6-4-13/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,23,25)
InChIKeyLQFFSGFXNACILA-UHFFFAOYSA-N
XLogP4.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide (CID 11131919) is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide is CN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.
What is the InChIKey of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The InChIKey is LQFFSGFXNACILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-24(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)26-20)23-21(25)13-3-5-14(22)6-4-13/h3-7,9,11,16H,8,10,12H2,1-2H3,(H,23,25).
What are the key properties of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide has a molecular weight of 352.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 11131919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).