N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide

C20H26F2N2O2 — CID 57395968

IUPACN,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2c1c1cc(F)c(OC)cc1n2CC[18F]
InChIInChI=1S/C20H26F2N2O2/c1-4-23(5-2)20(25)13-7-6-8-16-19(13)14-11-15(22)18(26-3)12-17(14)24(16)10-9-21/h11-13H,4-10H2,1-3H3/i21-1
InChIKeyFGDKXQIJZSPQHK-GJQNQZCXSA-N
MW363.44 g/mol
LogP4.05
Rot. Bonds6

About N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide

N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57395968) has the molecular formula C20H26F2N2O2 and a molecular weight of 363.44 g/mol. Its IUPAC name is N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57395968
Molecular FormulaC20H26F2N2O2
Molecular Weight363.44 g/mol
Exact Mass363.20
IUPAC NameN,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2c1c1cc(F)c(OC)cc1n2CC[18F]
InChIInChI=1S/C20H26F2N2O2/c1-4-23(5-2)20(25)13-7-6-8-16-19(13)14-11-15(22)18(26-3)12-17(14)24(16)10-9-21/h11-13H,4-10H2,1-3H3/i21-1
InChIKeyFGDKXQIJZSPQHK-GJQNQZCXSA-N
XLogP4.05
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57395968) is N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCN(CC)C(=O)C1CCCc2c1c1cc(F)c(OC)cc1n2CC[18F].
What is the InChIKey of N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is FGDKXQIJZSPQHK-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c1-4-23(5-2)20(25)13-7-6-8-16-19(13)14-11-15(22)18(26-3)12-17(14)24(16)10-9-21/h11-13H,4-10H2,1-3H3/i21-1.
What are the key properties of N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-fluoro-9-(2-(18F)fluoroethyl)-7-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57395968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).