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

C23H25FN2O2 — CID 21221732

IUPACN-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
SMILESCCN(CC)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C23H25FN2O2/c1-3-26(4-2)18-10-12-22-20(14-18)19-13-17(9-11-21(19)28-22)25-23(27)15-5-7-16(24)8-6-15/h5-9,11,13,18H,3-4,10,12,14H2,1-2H3,(H,25,27)
InChIKeyHUHRBUXNMBQMQF-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.02
Rot. Bonds5

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

N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide (PubChem CID 21221732) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
PubChem CID21221732
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC NameN-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
SMILESCCN(CC)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C23H25FN2O2/c1-3-26(4-2)18-10-12-22-20(14-18)19-13-17(9-11-21(19)28-22)25-23(27)15-5-7-16(24)8-6-15/h5-9,11,13,18H,3-4,10,12,14H2,1-2H3,(H,25,27)
InChIKeyHUHRBUXNMBQMQF-UHFFFAOYSA-N
XLogP5.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methyl-4-Oxo-3,4-Dihydrophthalazin-1-Yl)-N-(6,7,8,9-Tetrahydrodibenzo[b,D]furan-2-Yl)acetamide
CID 71552341
N-[2-(4-Benzofuran-7-yl-piperazin-1-yl)-ethyl]-4-fluoro-benzamide
CID 9999042
N-[4-[1-(benzofuran-2-yl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide
CID 5272228
4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11573764
3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylamino}-benzonitrile
CID 11681731
N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide;hydrochloride
CID 45261167
N-[4-(1-benzofuran-2-yl)phenyl]acetamide
CID 660707
N-[4-(diethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 833756
methyl N-[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamate
CID 17956992
Methyl 3-(2-isobutyramidoethyl)benzofuran-5-ylcarbamate
CID 17957007
methyl N-[3-(2-acetamidoethyl)-1-benzofuran-5-yl]carbamate
CID 18174981
N-(2-(5-Methoxycarbonylamino-benzo[b]furan-3-yl)ethyl)cyclopropylcarboxamide
CID 25014882

Frequently Asked Questions

What is the IUPAC name of N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide (CID 21221732) is N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide is CCN(CC)C1CCc2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.
What is the InChIKey of N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
The InChIKey is HUHRBUXNMBQMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-3-26(4-2)18-10-12-22-20(14-18)19-13-17(9-11-21(19)28-22)25-23(27)15-5-7-16(24)8-6-15/h5-9,11,13,18H,3-4,10,12,14H2,1-2H3,(H,25,27).
What are the key properties of N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide?
N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide has a molecular weight of 380.46 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(diethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 21221732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).