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

C21H29FN2O — CID 57394282

IUPAC9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C21H29FN2O/c1-3-13-23(14-4-2)21(25)17-9-7-11-19-20(17)16-8-5-6-10-18(16)24(19)15-12-22/h5-6,8,10,17H,3-4,7,9,11-15H2,1-2H3
InChIKeyPCAVTEZGSYPHGB-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.68
Rot. Bonds7

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

9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57394282) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound Name9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57394282
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C21H29FN2O/c1-3-13-23(14-4-2)21(25)17-9-7-11-19-20(17)16-8-5-6-10-18(16)24(19)15-12-22/h5-6,8,10,17H,3-4,7,9,11-15H2,1-2H3
InChIKeyPCAVTEZGSYPHGB-UHFFFAOYSA-N
XLogP4.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.68
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 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57394282) is 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCCN(CCC)C(=O)C1CCCc2c1c1ccccc1n2CCF.
What is the InChIKey of 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is PCAVTEZGSYPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-3-13-23(14-4-2)21(25)17-9-7-11-19-20(17)16-8-5-6-10-18(16)24(19)15-12-22/h5-6,8,10,17H,3-4,7,9,11-15H2,1-2H3.
What are the key properties of 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluoroethyl)-N,N-dipropyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57394282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).