6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C20H16F4N2O — CID 113203795

IUPAC6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C20H16F4N2O/c21-12-6-8-17-14(10-12)13-9-11(5-7-16(13)25-17)19(27)26-18-4-2-1-3-15(18)20(22,23)24/h1-4,6,8,10-11,25H,5,7,9H2,(H,26,27)
InChIKeyMJKZTFZSZKDYHT-UHFFFAOYSA-N
MW376.35 g/mol
LogP5.07
Rot. Bonds2

About 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203795) has the molecular formula C20H16F4N2O and a molecular weight of 376.35 g/mol. Its IUPAC name is 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203795
Molecular FormulaC20H16F4N2O
Molecular Weight376.35 g/mol
Exact Mass376.12
IUPAC Name6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C20H16F4N2O/c21-12-6-8-17-14(10-12)13-9-11(5-7-16(13)25-17)19(27)26-18-4-2-1-3-15(18)20(22,23)24/h1-4,6,8,10-11,25H,5,7,9H2,(H,26,27)
InChIKeyMJKZTFZSZKDYHT-UHFFFAOYSA-N
XLogP5.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.35
LogP ≤ 55.07
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

N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612984
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754
N-(5-chloro-2-methoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203782
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203690
N-(2-ethylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203621
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
N-(3-chloro-2-methylphenyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203629
N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 91126905
N-(1,1-dioxothiolan-3-yl)-6-fluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203737

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203795) is 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is MJKZTFZSZKDYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O/c21-12-6-8-17-14(10-12)13-9-11(5-7-16(13)25-17)19(27)26-18-4-2-1-3-15(18)20(22,23)24/h1-4,6,8,10-11,25H,5,7,9H2,(H,26,27).
What are the key properties of 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 376.35 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).