4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide

C15H18F4N4O2 — CID 59172552

IUPAC4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide
SMILES[N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCCCCO)c(F)c1F
InChIInChI=1S/C15H18F4N4O2/c16-10-9(11(17)13(19)14(12(10)18)22-23-20)15(25)21-7-5-3-1-2-4-6-8-24/h24H,1-8H2,(H,21,25)
InChIKeyNARYVDMWLRXRLN-UHFFFAOYSA-N
MW362.33 g/mol
LogP4.25
Rot. Bonds10

About 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide

4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide (PubChem CID 59172552) has the molecular formula C15H18F4N4O2 and a molecular weight of 362.33 g/mol. Its IUPAC name is 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide.

Molecular Properties

Compound Name4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide
PubChem CID59172552
Molecular FormulaC15H18F4N4O2
Molecular Weight362.33 g/mol
Exact Mass362.14
IUPAC Name4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide
SMILES[N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCCCCO)c(F)c1F
InChIInChI=1S/C15H18F4N4O2/c16-10-9(11(17)13(19)14(12(10)18)22-23-20)15(25)21-7-5-3-1-2-4-6-8-24/h24H,1-8H2,(H,21,25)
InChIKeyNARYVDMWLRXRLN-UHFFFAOYSA-N
XLogP4.25
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-azido-N-[3-(dimethylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 101443600
4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide
CID 161278811
4-azido-N-[3-(ethenylsulfonylamino)propyl]-2,3,5,6-tetrafluorobenzamide
CID 155381882
4-azido-2,3,5,6-tetrafluoro-N-(trimethoxysilylmethyl)benzamide
CID 59753258
4-azido-2,3,5,6-tetrafluoro-N-(3-trimethoxysilylpropyl)benzamide;4-azido-N-(3-trimethoxysilylpropyl)benzamide;4-benzoyl-N-(3-trimethoxysilylpropyl)benzamide
CID 159843457
4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide
CID 132518930
1-(4-azido-2,3,5,6-tetrafluorophenyl)-2-bromoethanone
CID 14642570
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
2,3,4,5,6-pentafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 106306029
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362
[4-(4-azido-2,3,5,6-tetrafluorobenzoyl)oxycyclohexyl] 4-azido-2,3,5,6-tetrafluorobenzoate
CID 121370141

Frequently Asked Questions

What is the IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide?
The IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide (CID 59172552) is 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide.
What is the SMILES notation for 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide?
The canonical SMILES for 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide is [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCCCCCO)c(F)c1F.
What is the InChIKey of 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide?
The InChIKey is NARYVDMWLRXRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N4O2/c16-10-9(11(17)13(19)14(12(10)18)22-23-20)15(25)21-7-5-3-1-2-4-6-8-24/h24H,1-8H2,(H,21,25).
What are the key properties of 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide?
4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide has a molecular weight of 362.33 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2,3,5,6-tetrafluoro-N-(8-hydroxyoctyl)benzamide is sourced from PubChem (CID 59172552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).