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

C20H27FN2O — CID 57399492

IUPACN-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCCN(CC)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C20H27FN2O/c1-3-13-22(4-2)20(24)16-9-7-11-18-19(16)15-8-5-6-10-17(15)23(18)14-12-21/h5-6,8,10,16H,3-4,7,9,11-14H2,1-2H3
InChIKeyAMCHMCFQZZZVHL-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.29
Rot. Bonds6

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

N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57399492) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57399492
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC NameN-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCCN(CC)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C20H27FN2O/c1-3-13-22(4-2)20(24)16-9-7-11-18-19(16)15-8-5-6-10-17(15)23(18)14-12-21/h5-6,8,10,16H,3-4,7,9,11-14H2,1-2H3
InChIKeyAMCHMCFQZZZVHL-UHFFFAOYSA-N
XLogP4.29
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.29
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-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57399492) is N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCCN(CC)C(=O)C1CCCc2c1c1ccccc1n2CCF.
What is the InChIKey of N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is AMCHMCFQZZZVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-3-13-22(4-2)20(24)16-9-7-11-18-19(16)15-8-5-6-10-17(15)23(18)14-12-21/h5-6,8,10,16H,3-4,7,9,11-14H2,1-2H3.
What are the key properties of N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(2-fluoroethyl)-N-propyl-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57399492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).