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

C21H21FN2O — CID 113203728

IUPAC6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C21H21FN2O/c22-16-7-9-20-18(13-16)17-12-15(6-8-19(17)24-20)21(25)23-11-10-14-4-2-1-3-5-14/h1-5,7,9,13,15,24H,6,8,10-12H2,(H,23,25)
InChIKeyHYMIRYGPEQCVOX-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.77
Rot. Bonds4

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

6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203728) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203728
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C21H21FN2O/c22-16-7-9-20-18(13-16)17-12-15(6-8-19(17)24-20)21(25)23-11-10-14-4-2-1-3-5-14/h1-5,7,9,13,15,24H,6,8,10-12H2,(H,23,25)
InChIKeyHYMIRYGPEQCVOX-UHFFFAOYSA-N
XLogP3.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754
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-[2-(4-chlorophenyl)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203979
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203865
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203864
N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612984
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide
CID 141196596
6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204140

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203728) is 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is O=C(NCCc1ccccc1)C1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is HYMIRYGPEQCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-16-7-9-20-18(13-16)17-12-15(6-8-19(17)24-20)21(25)23-11-10-14-4-2-1-3-5-14/h1-5,7,9,13,15,24H,6,8,10-12H2,(H,23,25).
What are the key properties of 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).