4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide

C15H19F4N5O4 — CID 165111679

IUPAC4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide
SMILES[N-]=[N+]=NCCOCCOCCOCCNC(=O)c1c(F)c(F)c(N)c(F)c1F
InChIInChI=1S/C15H19F4N5O4/c16-10-9(11(17)13(19)14(20)12(10)18)15(25)22-1-3-26-5-7-28-8-6-27-4-2-23-24-21/h1-8,20H2,(H,22,25)
InChIKeyUAXZMCPHAPDILY-UHFFFAOYSA-N
MW409.34 g/mol
LogP1.92
Rot. Bonds13

About 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide

4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide (PubChem CID 165111679) has the molecular formula C15H19F4N5O4 and a molecular weight of 409.34 g/mol. Its IUPAC name is 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide
PubChem CID165111679
Molecular FormulaC15H19F4N5O4
Molecular Weight409.34 g/mol
Exact Mass409.14
IUPAC Name4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide
SMILES[N-]=[N+]=NCCOCCOCCOCCNC(=O)c1c(F)c(F)c(N)c(F)c1F
InChIInChI=1S/C15H19F4N5O4/c16-10-9(11(17)13(19)14(20)12(10)18)15(25)22-1-3-26-5-7-28-8-6-27-4-2-23-24-21/h1-8,20H2,(H,22,25)
InChIKeyUAXZMCPHAPDILY-UHFFFAOYSA-N
XLogP1.92
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide?
The IUPAC name of 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide (CID 165111679) is 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide.
What is the SMILES notation for 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide?
The canonical SMILES for 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide is [N-]=[N+]=NCCOCCOCCOCCNC(=O)c1c(F)c(F)c(N)c(F)c1F.
What is the InChIKey of 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide?
The InChIKey is UAXZMCPHAPDILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N5O4/c16-10-9(11(17)13(19)14(20)12(10)18)15(25)22-1-3-26-5-7-28-8-6-27-4-2-23-24-21/h1-8,20H2,(H,22,25).
What are the key properties of 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide?
4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide has a molecular weight of 409.34 g/mol, XLogP of 1.92, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide is sourced from PubChem (CID 165111679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).