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

C21H22FN3O — CID 22611338

IUPACN-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
SMILESCCNC1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C21H22FN3O/c1-2-23-15-7-9-19-17(11-15)18-12-16(8-10-20(18)25-19)24-21(26)13-3-5-14(22)6-4-13/h3-6,8,10,12,15,23,25H,2,7,9,11H2,1H3,(H,24,26)
InChIKeyNZMKVAXIOCXMAT-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.03
Rot. Bonds4

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

N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide (PubChem CID 22611338) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
PubChem CID22611338
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
SMILESCCNC1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1
InChIInChI=1S/C21H22FN3O/c1-2-23-15-7-9-19-17(11-15)18-12-16(8-10-20(18)25-19)24-21(26)13-3-5-14(22)6-4-13/h3-6,8,10,12,15,23,25H,2,7,9,11H2,1H3,(H,24,26)
InChIKeyNZMKVAXIOCXMAT-UHFFFAOYSA-N
XLogP4.03
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.03
H-Bond Donors ≤ 53
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-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-iodobenzamide
CID 22611388
N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
CID 70157355
4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide
CID 54470636
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;oxalic acid
CID 22611378
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860
1-[6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]propan-1-one
CID 18971903
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
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
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
N-[6-(1,3-dioxo-7aH-isoindol-3a-yl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 70275523

Frequently Asked Questions

What is the IUPAC name of N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide (CID 22611338) is N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide is CCNC1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1.
What is the InChIKey of N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide?
The InChIKey is NZMKVAXIOCXMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-2-23-15-7-9-19-17(11-15)18-12-16(8-10-20(18)25-19)24-21(26)13-3-5-14(22)6-4-13/h3-6,8,10,12,15,23,25H,2,7,9,11H2,1H3,(H,24,26).
What are the key properties of N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide?
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide has a molecular weight of 351.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 22611338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).