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

C24H27FN2O — CID 57392557

IUPACN-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C24H27FN2O/c1-2-26(17-18-9-4-3-5-10-18)24(28)20-12-8-14-22-23(20)19-11-6-7-13-21(19)27(22)16-15-25/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3
InChIKeyRRDYBCJITNUVNY-UHFFFAOYSA-N
MW378.49 g/mol
LogP5.08
Rot. Bonds6

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

N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57392557) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57392557
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC NameN-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF
InChIInChI=1S/C24H27FN2O/c1-2-26(17-18-9-4-3-5-10-18)24(28)20-12-8-14-22-23(20)19-11-6-7-13-21(19)27(22)16-15-25/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3
InChIKeyRRDYBCJITNUVNY-UHFFFAOYSA-N
XLogP5.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.08
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-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57392557) is N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCCc2c1c1ccccc1n2CCF.
What is the InChIKey of N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is RRDYBCJITNUVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-2-26(17-18-9-4-3-5-10-18)24(28)20-12-8-14-22-23(20)19-11-6-7-13-21(19)27(22)16-15-25/h3-7,9-11,13,20H,2,8,12,14-17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 378.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-9-(2-fluoroethyl)-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57392557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).