2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium

C20H23F2N4O+ — CID 135734559

IUPAC2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C20H22F2N4O/c1-3-25(4-2)11-12-26-18-8-6-5-7-15(18)19(20(26)27)24-23-17-10-9-14(21)13-16(17)22/h5-10,13,27H,3-4,11-12H2,1-2H3/p+1/b24-23+
InChIKeyNYJDYYGDFPODDA-WCWDXBQESA-O
MW373.43 g/mol
LogP3.97
Rot. Bonds7

About 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium

2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium (PubChem CID 135734559) has the molecular formula C20H23F2N4O+ and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
PubChem CID135734559
Molecular FormulaC20H23F2N4O+
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
SMILESCC[NH+](CC)CCn1c(O)c(/N=N/c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C20H22F2N4O/c1-3-25(4-2)11-12-26-18-8-6-5-7-15(18)19(20(26)27)24-23-17-10-9-14(21)13-16(17)22/h5-10,13,27H,3-4,11-12H2,1-2H3/p+1/b24-23+
InChIKeyNYJDYYGDFPODDA-WCWDXBQESA-O
XLogP3.97
TPSA54.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.97
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-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
CID 135577249
diethyl-[2-[2-hydroxy-3-(3-methylbutanoyldiazenyl)indol-1-yl]ethyl]azanium
CID 135739771
diethyl-[2-[3-(furan-2-carbonyldiazenyl)-2-hydroxyindol-1-yl]ethyl]azanium
CID 135710479
diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
CID 135575864
2-[3-[[(3S)-1,1-dioxothiolane-3-carbonyl]diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium
CID 135817887
3-[(2-fluorophenyl)diazenyl]-1-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]indol-2-ol
CID 135619443
[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 767162
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
1-(4-ethylphenyl)-3-[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminothiourea
CID 3604671
(5-fluoro-2-hydroxy-1-propylindol-3-yl)iminothiourea
CID 953934
4-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3252841

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium?
The IUPAC name of 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium (CID 135734559) is 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium.
What is the SMILES notation for 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium?
The canonical SMILES for 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium is CC[NH+](CC)CCn1c(O)c(/N=N/c2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium?
The InChIKey is NYJDYYGDFPODDA-WCWDXBQESA-O. The full InChI is InChI=1S/C20H22F2N4O/c1-3-25(4-2)11-12-26-18-8-6-5-7-15(18)19(20(26)27)24-23-17-10-9-14(21)13-16(17)22/h5-10,13,27H,3-4,11-12H2,1-2H3/p+1/b24-23+.
What are the key properties of 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium?
2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium has a molecular weight of 373.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-difluorophenyl)diazenyl]-2-hydroxyindol-1-yl]ethyl-diethylazanium is sourced from PubChem (CID 135734559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).