N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C17H21FN2O — CID 113203690

IUPACN-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCCCNC(=O)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C17H21FN2O/c1-2-3-8-19-17(21)11-4-6-15-13(9-11)14-10-12(18)5-7-16(14)20-15/h5,7,10-11,20H,2-4,6,8-9H2,1H3,(H,19,21)
InChIKeyPCYVOZNSRXFINN-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.33
Rot. Bonds4

About N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203690) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203690
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESCCCCNC(=O)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C17H21FN2O/c1-2-3-8-19-17(21)11-4-6-15-13(9-11)14-10-12(18)5-7-16(14)20-15/h5,7,10-11,20H,2-4,6,8-9H2,1H3,(H,19,21)
InChIKeyPCYVOZNSRXFINN-UHFFFAOYSA-N
XLogP3.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.33
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-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754
6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204140
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
N-(2-aminoethyl)-6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612972
6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203795
6-fluoro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 65332860
N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612984
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 91126905
N-(5-chloro-2-methoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203782
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 156776164

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203690) is N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is CCCCNC(=O)C1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is PCYVOZNSRXFINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-2-3-8-19-17(21)11-4-6-15-13(9-11)14-10-12(18)5-7-16(14)20-15/h5,7,10-11,20H,2-4,6,8-9H2,1H3,(H,19,21).
What are the key properties of N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).