4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide

C17H16N4O2 — CID 2642229

IUPAC4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCn1c(O)c(/N=N/C(=O)c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C17H16N4O2/c1-2-21-14-6-4-3-5-13(14)15(17(21)23)19-20-16(22)11-7-9-12(18)10-8-11/h3-10,23H,2,18H2,1H3/b20-19+
InChIKeySWWNLLFKJSEJSL-FMQUCBEESA-N
MW308.34 g/mol
LogP3.87
Rot. Bonds3

About 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide

4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide (PubChem CID 2642229) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide.

Molecular Properties

Compound Name4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
PubChem CID2642229
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
SMILESCCn1c(O)c(/N=N/C(=O)c2ccc(N)cc2)c2ccccc21
InChIInChI=1S/C17H16N4O2/c1-2-21-14-6-4-3-5-13(14)15(17(21)23)19-20-16(22)11-7-9-12(18)10-8-11/h3-10,23H,2,18H2,1H3/b20-19+
InChIKeySWWNLLFKJSEJSL-FMQUCBEESA-N
XLogP3.87
TPSA92.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-benzyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642096
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
1-N,4-N-bis[(2-hydroxy-1-prop-2-enylindol-3-yl)imino]benzene-1,4-dicarboxamide
CID 1048805
N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135441894
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375
ethyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 135784384
4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide
CID 3887268
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N-(1-benzyl-2-hydroxyindol-3-yl)imino-4-iodobenzamide
CID 4264049

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide?
The IUPAC name of 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide (CID 2642229) is 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide.
What is the SMILES notation for 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide?
The canonical SMILES for 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide is CCn1c(O)c(/N=N/C(=O)c2ccc(N)cc2)c2ccccc21.
What is the InChIKey of 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide?
The InChIKey is SWWNLLFKJSEJSL-FMQUCBEESA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-21-14-6-4-3-5-13(14)15(17(21)23)19-20-16(22)11-7-9-12(18)10-8-11/h3-10,23H,2,18H2,1H3/b20-19+.
What are the key properties of 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide?
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide has a molecular weight of 308.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide is sourced from PubChem (CID 2642229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).