N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride

C23H27ClFN3O — CID 70157355

IUPACN-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
SMILESCCN(CC)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.Cl
InChIInChI=1S/C23H26FN3O.ClH/c1-3-27(4-2)18-10-12-22-20(14-18)19-13-17(9-11-21(19)26-22)25-23(28)15-5-7-16(24)8-6-15;/h5-9,11,13,18,26H,3-4,10,12,14H2,1-2H3,(H,25,28);1H
InChIKeyHMXOPQIJPFZWSK-UHFFFAOYSA-N
MW415.94 g/mol
LogP5.18
Rot. Bonds5

About N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride

N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride (PubChem CID 70157355) has the molecular formula C23H27ClFN3O and a molecular weight of 415.94 g/mol. Its IUPAC name is N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
PubChem CID70157355
Molecular FormulaC23H27ClFN3O
Molecular Weight415.94 g/mol
Exact Mass415.18
IUPAC NameN-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
SMILESCCN(CC)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.Cl
InChIInChI=1S/C23H26FN3O.ClH/c1-3-27(4-2)18-10-12-22-20(14-18)19-13-17(9-11-21(19)26-22)25-23(28)15-5-7-16(24)8-6-15;/h5-9,11,13,18,26H,3-4,10,12,14H2,1-2H3,(H,25,28);1H
InChIKeyHMXOPQIJPFZWSK-UHFFFAOYSA-N
XLogP5.18
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.94
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;oxalic acid
CID 22611378
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 22611338
4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide
CID 54470636
ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 54344220
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-iodobenzamide
CID 22611388
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]furan-3-carboxamide
CID 54368561
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]cyclopropanecarboxamide
CID 22611246
N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
CID 21221636
prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 54473685
N-[6-(1,3-dioxo-7aH-isoindol-3a-yl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 70275523
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42909167
N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4837245

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride (CID 70157355) is N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride is CCN(CC)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.Cl.
What is the InChIKey of N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride?
The InChIKey is HMXOPQIJPFZWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O.ClH/c1-3-27(4-2)18-10-12-22-20(14-18)19-13-17(9-11-21(19)26-22)25-23(28)15-5-7-16(24)8-6-15;/h5-9,11,13,18,26H,3-4,10,12,14H2,1-2H3,(H,25,28);1H.
What are the key properties of N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride?
N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride has a molecular weight of 415.94 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 70157355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).