N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide

C21H22FN3O2 — CID 135881488

IUPACN-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C21H22FN3O2/c1-2-3-4-8-13-25-18-12-11-16(22)14-17(18)19(21(25)27)23-24-20(26)15-9-6-5-7-10-15/h5-7,9-12,14,27H,2-4,8,13H2,1H3/b24-23+
InChIKeyYSOAIGZNZJAYFR-WCWDXBQESA-N
MW367.42 g/mol
LogP5.99
Rot. Bonds7

About N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide

N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide (PubChem CID 135881488) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
PubChem CID135881488
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cc(F)ccc21
InChIInChI=1S/C21H22FN3O2/c1-2-3-4-8-13-25-18-12-11-16(22)14-17(18)19(21(25)27)23-24-20(26)15-9-6-5-7-10-15/h5-7,9-12,14,27H,2-4,8,13H2,1H3/b24-23+
InChIKeyYSOAIGZNZJAYFR-WCWDXBQESA-N
XLogP5.99
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
CID 135743701
Bzo-poxizid
CID 2691386
Bzo-chmoxizid
CID 135881485
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
Indole benzamide 18
CID 6539933
4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-yl)methyl)-N-hydroxybenzamide (6b)
CID 137224532
(3Z)-3-[(2-hydroxyphenyl)hydrazinylidene]-1-prop-2-enylindol-2-one
CID 135857069
2-(3-Hydrazono-2-oxo-2,3-dihydro-indol-1-yl)-N-phenyl-acetamide
CID 678592
(E)-N'-(1-methyl-2-oxoindolin-3-ylidene)-2-(p-tolylamino)acetohydrazide
CID 773026
N-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethyl)-benzamide
CID 821643
1-Allyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 3101769

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The IUPAC name of N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide (CID 135881488) is N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The canonical SMILES for N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide is CCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cc(F)ccc21.
What is the InChIKey of N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The InChIKey is YSOAIGZNZJAYFR-WCWDXBQESA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-2-3-4-8-13-25-18-12-11-16(22)14-17(18)19(21(25)27)23-24-20(26)15-9-6-5-7-10-15/h5-7,9-12,14,27H,2-4,8,13H2,1H3/b24-23+.
What are the key properties of N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide has a molecular weight of 367.42 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1-hexyl-2-hydroxyindol-3-yl)iminobenzamide is sourced from PubChem (CID 135881488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).