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

C21H20F2N2O2 — CID 15428625

IUPACN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide
SMILESCN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4F)cc3c2C1
InChIInChI=1S/C21H20F2N2O2/c1-25(2)14-5-8-20-17(11-14)16-10-13(4-7-19(16)27-20)24-21(26)15-6-3-12(22)9-18(15)23/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,24,26)
InChIKeyIJWBHZFJQUNCNJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.38
Rot. Bonds3

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

N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide (PubChem CID 15428625) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide
PubChem CID15428625
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC NameN-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide
SMILESCN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4F)cc3c2C1
InChIInChI=1S/C21H20F2N2O2/c1-25(2)14-5-8-20-17(11-14)16-10-13(4-7-19(16)27-20)24-21(26)15-6-3-12(22)9-18(15)23/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,24,26)
InChIKeyIJWBHZFJQUNCNJ-UHFFFAOYSA-N
XLogP4.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzamide
CID 15428624
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide
CID 21221600
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]prop-2-enamide
CID 21221648
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrazine-2-carboxamide
CID 21221588
N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
CID 21221636
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-phenylacetamide
CID 21221684
2,2-dichloroacetic acid;N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]isoquinoline-1-carboxamide
CID 21221668
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;oxalic acid
CID 22611378
2,4-difluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597780
1-(2,4-difluorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164974
2,4-difluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24697449
2,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47067429

Frequently Asked Questions

What is the IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide (CID 15428625) is N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide is CN(C)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4F)cc3c2C1.
What is the InChIKey of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide?
The InChIKey is IJWBHZFJQUNCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c1-25(2)14-5-8-20-17(11-14)16-10-13(4-7-19(16)27-20)24-21(26)15-6-3-12(22)9-18(15)23/h3-4,6-7,9-10,14H,5,8,11H2,1-2H3,(H,24,26).
What are the key properties of N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide?
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2,4-difluorobenzamide has a molecular weight of 370.40 g/mol, XLogP of 4.38, 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]-2,4-difluorobenzamide is sourced from PubChem (CID 15428625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).