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

C22H20F4N2O2 — CID 15428626

IUPACN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide
SMILESCN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4C(F)(F)F)cc3c2C1
InChIInChI=1S/C22H20F4N2O2/c1-28(2)14-5-8-20-17(11-14)16-10-13(4-7-19(16)30-20)27-21(29)15-6-3-12(23)9-18(15)22(24,25)26/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,27,29)
InChIKeyZMLKSAZLTGELPL-UHFFFAOYSA-N
MW420.41 g/mol
LogP5.26
Rot. Bonds3

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

N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 15428626) has the molecular formula C22H20F4N2O2 and a molecular weight of 420.41 g/mol. Its IUPAC name is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID15428626
Molecular FormulaC22H20F4N2O2
Molecular Weight420.41 g/mol
Exact Mass420.15
IUPAC NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide
SMILESCN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4C(F)(F)F)cc3c2C1
InChIInChI=1S/C22H20F4N2O2/c1-28(2)14-5-8-20-17(11-14)16-10-13(4-7-19(16)30-20)27-21(29)15-6-3-12(23)9-18(15)22(24,25)26/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,27,29)
InChIKeyZMLKSAZLTGELPL-UHFFFAOYSA-N
XLogP5.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.41
LogP ≤ 55.26
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-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide (CID 15428626) is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide is CN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4C(F)(F)F)cc3c2C1.
What is the InChIKey of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is ZMLKSAZLTGELPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N2O2/c1-28(2)14-5-8-20-17(11-14)16-10-13(4-7-19(16)30-20)27-21(29)15-6-3-12(23)9-18(15)22(24,25)26/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,27,29).
What are the key properties of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide?
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 420.41 g/mol, XLogP of 5.26, 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-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 15428626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).