6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C22H23FN2O — CID 113203754

IUPAC6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C22H23FN2O/c23-17-9-11-21-19(14-17)18-13-16(8-10-20(18)25-21)22(26)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,9,11,14,16,25H,4,7-8,10,12-13H2,(H,24,26)
InChIKeyMLXVEQGESZLVHM-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.16
Rot. Bonds5

About 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203754) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203754
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C22H23FN2O/c23-17-9-11-21-19(14-17)18-13-16(8-10-20(18)25-21)22(26)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,9,11,14,16,25H,4,7-8,10,12-13H2,(H,24,26)
InChIKeyMLXVEQGESZLVHM-UHFFFAOYSA-N
XLogP4.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203690
N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 91126905
6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203795
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204140
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 156776164
N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612984
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203864
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
N-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203979
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide
CID 141196596

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203754) is 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is O=C(NCCCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is MLXVEQGESZLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c23-17-9-11-21-19(14-17)18-13-16(8-10-20(18)25-21)22(26)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,9,11,14,16,25H,4,7-8,10,12-13H2,(H,24,26).
What are the key properties of 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).