2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

C23H24FN3O4 — CID 59425203

About 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate

2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425203) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
• PubChem CID: 59425203
• Molecular Formula: C23H24FN3O4
• Molecular Weight: 425.46 g/mol
• Exact Mass: 425.18
• IUPAC Name: 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
• SMILES: CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OCCOC)cc21
• InChI: InChI=1S/C23H24FN3O4/c1-3-27-21-14-18(30-13-12-29-2)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)26-23(28)31-11-10-24/h4-9,14H,3,10-13H2,1-2H3,(H,26,28)
• InChIKey: YCHVVDXRPNFHMB-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 85.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.46
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The IUPAC name of 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate (CID 59425203) is 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The canonical SMILES for 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is CCn1c(-c2ccc(NC(=O)OCCF)cc2)c(C#N)c2ccc(OCCOC)cc21.

What is the InChIKey of 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

The InChIKey is YCHVVDXRPNFHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-3-27-21-14-18(30-13-12-29-2)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)26-23(28)31-11-10-24/h4-9,14H,3,10-13H2,1-2H3,(H,26,28).

What are the key properties of 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate?

2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 425.46 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).