diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium

C21H24FN4O2+ — CID 135577249

IUPACdiethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C21H23FN4O2/c1-3-25(4-2)13-14-26-18-12-8-6-10-16(18)19(21(26)28)23-24-20(27)15-9-5-7-11-17(15)22/h5-12,28H,3-4,13-14H2,1-2H3/p+1/b24-23+
InChIKeyMEQHNWMURQZSHI-WCWDXBQESA-O
MW383.45 g/mol
LogP3.33
Rot. Bonds7

About diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium

diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium (PubChem CID 135577249) has the molecular formula C21H24FN4O2+ and a molecular weight of 383.45 g/mol. Its IUPAC name is diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
PubChem CID135577249
Molecular FormulaC21H24FN4O2+
Molecular Weight383.45 g/mol
Exact Mass383.19
IUPAC Namediethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/C(=O)c2ccccc2F)c2ccccc21
InChIInChI=1S/C21H23FN4O2/c1-3-25(4-2)13-14-26-18-12-8-6-10-16(18)19(21(26)28)23-24-20(27)15-9-5-7-11-17(15)22/h5-12,28H,3-4,13-14H2,1-2H3/p+1/b24-23+
InChIKeyMEQHNWMURQZSHI-WCWDXBQESA-O
XLogP3.33
TPSA71.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
CID 135710479
2-fluoro-N-(2-hydroxy-1-prop-2-ynylindol-3-yl)iminobenzamide
CID 5035763
diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
CID 135739771
diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
CID 135575864
2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135734559
2-[3-[[(3S)-1,1-dioxothiolane-3-carbonyl]diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135817887
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 4090975
N-[1-(azepan-1-ium-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-bromobenzamide
CID 2311216

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium?
The IUPAC name of diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium (CID 135577249) is diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium?
The canonical SMILES for diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium is CC[NH+](CC)CCn1c(O)c(/N=N/C(=O)c2ccccc2F)c2ccccc21.
What is the InChIKey of diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium?
The InChIKey is MEQHNWMURQZSHI-WCWDXBQESA-O. The full InChI is InChI=1S/C21H23FN4O2/c1-3-25(4-2)13-14-26-18-12-8-6-10-16(18)19(21(26)28)23-24-20(27)15-9-5-7-11-17(15)22/h5-12,28H,3-4,13-14H2,1-2H3/p+1/b24-23+.
What are the key properties of diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium?
diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium has a molecular weight of 383.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium is sourced from PubChem (CID 135577249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).