N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide

C19H25FN2O2 — CID 57399770

IUPACN,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2c1c1cc(O)ccc1n2CCF
InChIInChI=1S/C19H25FN2O2/c1-3-21(4-2)19(24)14-6-5-7-17-18(14)15-12-13(23)8-9-16(15)22(17)11-10-20/h8-9,12,14,23H,3-7,10-11H2,1-2H3
InChIKeyOYYWZOCFFUKRPC-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.60
Rot. Bonds5

About N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide

N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide (PubChem CID 57399770) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
PubChem CID57399770
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCc2c1c1cc(O)ccc1n2CCF
InChIInChI=1S/C19H25FN2O2/c1-3-21(4-2)19(24)14-6-5-7-17-18(14)15-12-13(23)8-9-16(15)22(17)11-10-20/h8-9,12,14,23H,3-7,10-11H2,1-2H3
InChIKeyOYYWZOCFFUKRPC-UHFFFAOYSA-N
XLogP3.60
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
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-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The IUPAC name of N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide (CID 57399770) is N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide is CCN(CC)C(=O)C1CCCc2c1c1cc(O)ccc1n2CCF.
What is the InChIKey of N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
The InChIKey is OYYWZOCFFUKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-3-21(4-2)19(24)14-6-5-7-17-18(14)15-12-13(23)8-9-16(15)22(17)11-10-20/h8-9,12,14,23H,3-7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide?
N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-(2-fluoroethyl)-6-hydroxy-1,2,3,4-tetrahydrocarbazole-4-carboxamide is sourced from PubChem (CID 57399770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).