N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide

C23H24F2N2O — CID 57394284

IUPACN-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCc2c1c1cc(F)ccc1n2CCF
InChIInChI=1S/C23H24F2N2O/c1-26(15-16-6-3-2-4-7-16)23(28)18-8-5-9-21-22(18)19-14-17(25)10-11-20(19)27(21)13-12-24/h2-4,6-7,10-11,14,18H,5,8-9,12-13,15H2,1H3
InChIKeyUYBCFXZEIJSNBY-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.83
Rot. Bonds5

About N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide

N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57394284) has the molecular formula C23H24F2N2O and a molecular weight of 382.45 g/mol. Its IUPAC name is N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57394284
Molecular FormulaC23H24F2N2O
Molecular Weight382.45 g/mol
Exact Mass382.19
IUPAC NameN-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCc2c1c1cc(F)ccc1n2CCF
InChIInChI=1S/C23H24F2N2O/c1-26(15-16-6-3-2-4-7-16)23(28)18-8-5-9-21-22(18)19-14-17(25)10-11-20(19)27(21)13-12-24/h2-4,6-7,10-11,14,18H,5,8-9,12-13,15H2,1H3
InChIKeyUYBCFXZEIJSNBY-UHFFFAOYSA-N
XLogP4.83
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57394284) is N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCCc2c1c1cc(F)ccc1n2CCF.
What is the InChIKey of N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is UYBCFXZEIJSNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O/c1-26(15-16-6-3-2-4-7-16)23(28)18-8-5-9-21-22(18)19-14-17(25)10-11-20(19)27(21)13-12-24/h2-4,6-7,10-11,14,18H,5,8-9,12-13,15H2,1H3.
What are the key properties of N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-fluoro-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57394284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).