4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide

C8H4F4N4O — CID 15545335

IUPAC4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C8H4F4N4O/c1-14-8(17)2-3(9)5(11)7(15-16-13)6(12)4(2)10/h1H3,(H,14,17)
InChIKeyYXCWZEDTTFYAFJ-UHFFFAOYSA-N
MW248.14 g/mol
LogP2.54
Rot. Bonds2

About 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide

4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide (PubChem CID 15545335) has the molecular formula C8H4F4N4O and a molecular weight of 248.14 g/mol. Its IUPAC name is 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide
PubChem CID15545335
Molecular FormulaC8H4F4N4O
Molecular Weight248.14 g/mol
Exact Mass248.03
IUPAC Name4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide
SMILESCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C8H4F4N4O/c1-14-8(17)2-3(9)5(11)7(15-16-13)6(12)4(2)10/h1H3,(H,14,17)
InChIKeyYXCWZEDTTFYAFJ-UHFFFAOYSA-N
XLogP2.54
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide?
The IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide (CID 15545335) is 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide.
What is the SMILES notation for 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide?
The canonical SMILES for 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide is CNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F.
What is the InChIKey of 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide?
The InChIKey is YXCWZEDTTFYAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N4O/c1-14-8(17)2-3(9)5(11)7(15-16-13)6(12)4(2)10/h1H3,(H,14,17).
What are the key properties of 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide?
4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide has a molecular weight of 248.14 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2,3,5,6-tetrafluoro-N-methylbenzamide is sourced from PubChem (CID 15545335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).