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

C19H24F2N2O — CID 57399616

IUPACN,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2c1c1ccc(F)cc1n2CCF
InChIInChI=1S/C19H24F2N2O/c1-3-22(4-2)19(24)15-6-5-7-16-18(15)14-9-8-13(21)12-17(14)23(16)11-10-20/h8-9,12,15H,3-7,10-11H2,1-2H3
InChIKeyQJLZJESMFQBPJH-UHFFFAOYSA-N
MW334.41 g/mol
LogP4.04
Rot. Bonds5

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

N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57399616) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57399616
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC NameN,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2c1c1ccc(F)cc1n2CCF
InChIInChI=1S/C19H24F2N2O/c1-3-22(4-2)19(24)15-6-5-7-16-18(15)14-9-8-13(21)12-17(14)23(16)11-10-20/h8-9,12,15H,3-7,10-11H2,1-2H3
InChIKeyQJLZJESMFQBPJH-UHFFFAOYSA-N
XLogP4.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.04
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,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57399616) is N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCN(CC)C(=O)C1CCCc2c1c1ccc(F)cc1n2CCF.
What is the InChIKey of N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is QJLZJESMFQBPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O/c1-3-22(4-2)19(24)15-6-5-7-16-18(15)14-9-8-13(21)12-17(14)23(16)11-10-20/h8-9,12,15H,3-7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-fluoro-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57399616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).