4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide

C14H12F4N4O2 — CID 161278811

IUPAC4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide
SMILESC=C(C)C(=O)CCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C14H12F4N4O2/c1-6(2)7(23)4-3-5-20-14(24)8-9(15)11(17)13(21-22-19)12(18)10(8)16/h1,3-5H2,2H3,(H,20,24)
InChIKeyTVWGMSVOBQNAKR-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.84
Rot. Bonds7

About 4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide

4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide (PubChem CID 161278811) has the molecular formula C14H12F4N4O2 and a molecular weight of 344.27 g/mol. Its IUPAC name is 4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide.

Molecular Properties

Compound Name4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide
PubChem CID161278811
Molecular FormulaC14H12F4N4O2
Molecular Weight344.27 g/mol
Exact Mass344.09
IUPAC Name4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide
SMILESC=C(C)C(=O)CCCNC(=O)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
InChIInChI=1S/C14H12F4N4O2/c1-6(2)7(23)4-3-5-20-14(24)8-9(15)11(17)13(21-22-19)12(18)10(8)16/h1,3-5H2,2H3,(H,20,24)
InChIKeyTVWGMSVOBQNAKR-UHFFFAOYSA-N
XLogP3.84
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
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-(8-hydroxyoctyl)benzamide
CID 59172552
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
2-(2-methylprop-2-enoylamino)ethyl 4-azido-2,3,5,6-tetrafluorobenzoate
CID 155383085
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
1-(4-azido-2,3,5,6-tetrafluorophenyl)-2-bromoethanone
CID 14642570
9-(4-azido-2,3,5,6-tetrafluorophenyl)nonyl 2-methylprop-2-enoate
CID 176671586
4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide
CID 132518930
4-amino-N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2,3,5,6-tetrafluorobenzamide
CID 165111679
(2R)-2-[2-(4-azido-2,3,5,6-tetrafluorobenzoyl)hydrazinyl]-3-sulfanylpropanoic acid
CID 124669092
2-amino-1-(4-azido-2,3,5,6-tetrafluorophenyl)propan-1-one
CID 175094225

Frequently Asked Questions

What is the IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide?
The IUPAC name of 4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide (CID 161278811) is 4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide.
What is the SMILES notation for 4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide?
The canonical SMILES for 4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide is C=C(C)C(=O)CCCNC(=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-(5-methyl-4-oxohex-5-enyl)benzamide?
The InChIKey is TVWGMSVOBQNAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O2/c1-6(2)7(23)4-3-5-20-14(24)8-9(15)11(17)13(21-22-19)12(18)10(8)16/h1,3-5H2,2H3,(H,20,24).
What are the key properties of 4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide?
4-azido-2,3,5,6-tetrafluoro-N-(5-methyl-4-oxohex-5-enyl)benzamide has a molecular weight of 344.27 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 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-(5-methyl-4-oxohex-5-enyl)benzamide is sourced from PubChem (CID 161278811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).