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

C25H29FN2O2 — CID 21221636

IUPACN-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
SMILESCCCN(CCC)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C25H29FN2O2/c1-3-13-28(14-4-2)20-10-12-24-22(16-20)21-15-19(9-11-23(21)30-24)27-25(29)17-5-7-18(26)8-6-17/h5-9,11,15,20H,3-4,10,12-14,16H2,1-2H3,(H,27,29)
InChIKeyWIKVZOREYCXKRI-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.80
Rot. Bonds7

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

N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide (PubChem CID 21221636) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
PubChem CID21221636
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC NameN-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
SMILESCCCN(CCC)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C25H29FN2O2/c1-3-13-28(14-4-2)20-10-12-24-22(16-20)21-15-19(9-11-23(21)30-24)27-25(29)17-5-7-18(26)8-6-17/h5-9,11,15,20H,3-4,10,12-14,16H2,1-2H3,(H,27,29)
InChIKeyWIKVZOREYCXKRI-UHFFFAOYSA-N
XLogP5.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide with MolForge

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Related Compounds

N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
CID 70157355
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]prop-2-enamide
CID 21221648
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-2-phenylacetamide
CID 21221684
4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide
CID 54470636
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]pyrazine-2-carboxamide
CID 21221588
N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-1-benzofuran-3-carboxamide
CID 21221600
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;oxalic acid
CID 22611378
2,2-dichloroacetic acid;N-[8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]isoquinoline-1-carboxamide
CID 21221668
ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate
CID 21221595
4-methoxy-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzamide
CID 24899449
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 22611338

Frequently Asked Questions

What is the IUPAC name of N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide (CID 21221636) is N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide is CCCN(CCC)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.
What is the InChIKey of N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The InChIKey is WIKVZOREYCXKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-3-13-28(14-4-2)20-10-12-24-22(16-20)21-15-19(9-11-23(21)30-24)27-25(29)17-5-7-18(26)8-6-17/h5-9,11,15,20H,3-4,10,12-14,16H2,1-2H3,(H,27,29).
What are the key properties of N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide has a molecular weight of 408.52 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 21221636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).