N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide

C20H23FN2O4 — CID 58160188

IUPACN-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide
SMILESCN(C=O)c1ccc2c(c1)[nH]c1cc(OCCOCCOCC[18F])ccc12
InChIInChI=1S/C20H23FN2O4/c1-23(14-24)15-2-4-17-18-5-3-16(13-20(18)22-19(17)12-15)27-11-10-26-9-8-25-7-6-21/h2-5,12-14,22H,6-11H2,1H3/i21-1
InChIKeyTVCYOGAVXMIISK-GJQNQZCXSA-N
MW373.41 g/mol
LogP3.30
Rot. Bonds11

About N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide

N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide (PubChem CID 58160188) has the molecular formula C20H23FN2O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide
PubChem CID58160188
Molecular FormulaC20H23FN2O4
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC NameN-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide
SMILESCN(C=O)c1ccc2c(c1)[nH]c1cc(OCCOCCOCC[18F])ccc12
InChIInChI=1S/C20H23FN2O4/c1-23(14-24)15-2-4-17-18-5-3-16(13-20(18)22-19(17)12-15)27-11-10-26-9-8-25-7-6-21/h2-5,12-14,22H,6-11H2,1H3/i21-1
InChIKeyTVCYOGAVXMIISK-GJQNQZCXSA-N
XLogP3.30
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide?
The IUPAC name of N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide (CID 58160188) is N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide.
What is the SMILES notation for N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide?
The canonical SMILES for N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide is CN(C=O)c1ccc2c(c1)[nH]c1cc(OCCOCCOCC[18F])ccc12.
What is the InChIKey of N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide?
The InChIKey is TVCYOGAVXMIISK-GJQNQZCXSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-23(14-24)15-2-4-17-18-5-3-16(13-20(18)22-19(17)12-15)27-11-10-26-9-8-25-7-6-21/h2-5,12-14,22H,6-11H2,1H3/i21-1.
What are the key properties of N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide?
N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide has a molecular weight of 373.41 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-9H-carbazol-2-yl]-N-methylformamide is sourced from PubChem (CID 58160188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).