N-butan-2-yl-2-diazenyl-5-fluorobenzamide

C11H14FN3O — CID 121220031

IUPACN-butan-2-yl-2-diazenyl-5-fluorobenzamide
SMILES[H]/N=N/c1ccc(F)cc1C(=O)NC(C)CC
InChIInChI=1S/C11H14FN3O/c1-3-7(2)14-11(16)9-6-8(12)4-5-10(9)15-13/h4-7,13H,3H2,1-2H3,(H,14,16)/b15-13+
InChIKeyRLXAJSBWROWBNY-FYWRMAATSA-N
MW223.25 g/mol
LogP3.02
Rot. Bonds4

About N-butan-2-yl-2-diazenyl-5-fluorobenzamide

N-butan-2-yl-2-diazenyl-5-fluorobenzamide (PubChem CID 121220031) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is N-butan-2-yl-2-diazenyl-5-fluorobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-diazenyl-5-fluorobenzamide
PubChem CID121220031
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC NameN-butan-2-yl-2-diazenyl-5-fluorobenzamide
SMILES[H]/N=N/c1ccc(F)cc1C(=O)NC(C)CC
InChIInChI=1S/C11H14FN3O/c1-3-7(2)14-11(16)9-6-8(12)4-5-10(9)15-13/h4-7,13H,3H2,1-2H3,(H,14,16)/b15-13+
InChIKeyRLXAJSBWROWBNY-FYWRMAATSA-N
XLogP3.02
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
N-(5-bromopentan-2-yl)-2,5-difluorobenzamide
CID 114316646
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
N-(4-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 83188294
N-(4-bromobutan-2-yl)-2,5-difluorobenzamide
CID 83180348
N-butan-2-yl-2,5-difluorobenzenecarbothioamide
CID 143795186
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636187
2-amino-N-(1-cyanopropan-2-yl)-5-fluorobenzamide
CID 62093542
4-fluoro-2-iodo-N-(4-methylhexan-2-yl)benzamide
CID 103708356

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-diazenyl-5-fluorobenzamide?
The IUPAC name of N-butan-2-yl-2-diazenyl-5-fluorobenzamide (CID 121220031) is N-butan-2-yl-2-diazenyl-5-fluorobenzamide.
What is the SMILES notation for N-butan-2-yl-2-diazenyl-5-fluorobenzamide?
The canonical SMILES for N-butan-2-yl-2-diazenyl-5-fluorobenzamide is [H]/N=N/c1ccc(F)cc1C(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-2-diazenyl-5-fluorobenzamide?
The InChIKey is RLXAJSBWROWBNY-FYWRMAATSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-3-7(2)14-11(16)9-6-8(12)4-5-10(9)15-13/h4-7,13H,3H2,1-2H3,(H,14,16)/b15-13+.
What are the key properties of N-butan-2-yl-2-diazenyl-5-fluorobenzamide?
N-butan-2-yl-2-diazenyl-5-fluorobenzamide has a molecular weight of 223.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-diazenyl-5-fluorobenzamide is sourced from PubChem (CID 121220031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).