N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide

C19H19N3O3 — CID 2696561

IUPACN-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
SMILESCCCCn1c(O)c(/N=N/C(=O)c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-3-11-22-16-10-5-4-9-15(16)17(19(22)25)20-21-18(24)13-7-6-8-14(23)12-13/h4-10,12,23,25H,2-3,11H2,1H3/b21-20+
InChIKeyDJNWMYNIRNZPNZ-QZQOTICOSA-N
MW337.38 g/mol
LogP4.78
Rot. Bonds5

About N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide

N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide (PubChem CID 2696561) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
PubChem CID2696561
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
SMILESCCCCn1c(O)c(/N=N/C(=O)c2cccc(O)c2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-2-3-11-22-16-10-5-4-9-15(16)17(19(22)25)20-21-18(24)13-7-6-8-14(23)12-13/h4-10,12,23,25H,2-3,11H2,1H3/b21-20+
InChIKeyDJNWMYNIRNZPNZ-QZQOTICOSA-N
XLogP4.78
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408
ethyl 2-[2-hydroxy-3-[(3-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135673822
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
CID 135846592
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
CID 135754966
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172294
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide?
The IUPAC name of N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide (CID 2696561) is N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide.
What is the SMILES notation for N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide?
The canonical SMILES for N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide is CCCCn1c(O)c(/N=N/C(=O)c2cccc(O)c2)c2ccccc21.
What is the InChIKey of N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide?
The InChIKey is DJNWMYNIRNZPNZ-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-3-11-22-16-10-5-4-9-15(16)17(19(22)25)20-21-18(24)13-7-6-8-14(23)12-13/h4-10,12,23,25H,2-3,11H2,1H3/b21-20+.
What are the key properties of N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide?
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide is sourced from PubChem (CID 2696561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).