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

C21H23N3O2 — CID 135743701

IUPACN-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14,26H,2-4,10,15H2,1H3/b23-22+
InChIKeyICNRTDOKKSWDRL-GHVJWSGMSA-N
MW349.43 g/mol
LogP5.85
Rot. Bonds7

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

N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide (PubChem CID 135743701) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
PubChem CID135743701
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14,26H,2-4,10,15H2,1H3/b23-22+
InChIKeyICNRTDOKKSWDRL-GHVJWSGMSA-N
XLogP5.85
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.85
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

Bzo-poxizid
CID 2691386
Bzo-chmoxizid
CID 135881485
4-[N'-(2-Oxo-1,2-dihydro-indol-3-ylidene)-hydrazino]-benzoic acid
CID 5033943
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
(E)-1-benzyl-3-(hydroxyimino)indolin-2-one
CID 921636
(3E)-3-(2-oxo-1H-indol-3-ylidene)-1-prop-2-enylindol-2-one
CID 974921
2(4-Benzyl-1-piperazinyl)N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide
CID 1034069
1-Ethyl-3-hydrazono-1,3-dihydro-indol-2-one
CID 2386107
Meisoindigo
CID 126274
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

Frequently Asked Questions

What is the IUPAC name of N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The IUPAC name of N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide (CID 135743701) is N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The canonical SMILES for N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide is CCCCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
The InChIKey is ICNRTDOKKSWDRL-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14,26H,2-4,10,15H2,1H3/b23-22+.
What are the key properties of N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide?
N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide has a molecular weight of 349.43 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide is sourced from PubChem (CID 135743701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).