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

C23H25FN2O — CID 57397839

IUPACN-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C23H25FN2O/c1-25(16-17-8-3-2-4-9-17)23(27)19-11-7-13-21-22(19)18-10-5-6-12-20(18)26(21)15-14-24/h2-6,8-10,12,19H,7,11,13-16H2,1H3
InChIKeyFJAMEGHJYXTEHB-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.69
Rot. Bonds5

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

N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57397839) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57397839
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC NameN-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C23H25FN2O/c1-25(16-17-8-3-2-4-9-17)23(27)19-11-7-13-21-22(19)18-10-5-6-12-20(18)26(21)15-14-24/h2-6,8-10,12,19H,7,11,13-16H2,1H3
InChIKeyFJAMEGHJYXTEHB-UHFFFAOYSA-N
XLogP4.69
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.69
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-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57397839) is N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF.
What is the InChIKey of N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is FJAMEGHJYXTEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-25(16-17-8-3-2-4-9-17)23(27)19-11-7-13-21-22(19)18-10-5-6-12-20(18)26(21)15-14-24/h2-6,8-10,12,19H,7,11,13-16H2,1H3.
What are the key properties of N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-(2-fluoroethyl)-N-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57397839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).