2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide

C17H16N6O2 — CID 2304852

IUPAC2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide
SMILES[H]/N=C(N)/N=N/c1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12
InChIInChI=1S/C17H16N6O2/c18-17(19)22-21-15-12-8-4-5-9-13(12)23(16(15)25)10-14(24)20-11-6-2-1-3-7-11/h1-9,25H,10H2,(H3,18,19)(H,20,24)/b22-21+
InChIKeyGMLRJIRZHISYDX-QURGRASLSA-N
MW336.36 g/mol
LogP2.96
Rot. Bonds4

About 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide

2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide (PubChem CID 2304852) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide
PubChem CID2304852
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide
SMILES[H]/N=C(N)/N=N/c1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12
InChIInChI=1S/C17H16N6O2/c18-17(19)22-21-15-12-8-4-5-9-13(12)23(16(15)25)10-14(24)20-11-6-2-1-3-7-11/h1-9,25H,10H2,(H3,18,19)(H,20,24)/b22-21+
InChIKeyGMLRJIRZHISYDX-QURGRASLSA-N
XLogP2.96
TPSA128.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzyl-2-hydroxyindol-3-yl)iminoguanidine
CID 135754944
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
CID 1255359
N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide
CID 3570088
N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
CID 1048808
N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
CID 3375454
2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide
CID 2333388
N'-[1-(2-anilino-2-oxoethyl)-5-bromo-2-hydroxyindol-3-yl]imino-N-(4-methylphenyl)oxamide
CID 4652493
N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide
CID 2253515
methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate
CID 932258
N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
CID 4264369
N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
CID 3838815

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide (CID 2304852) is 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide is [H]/N=C(N)/N=N/c1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12.
What is the InChIKey of 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide?
The InChIKey is GMLRJIRZHISYDX-QURGRASLSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-17(19)22-21-15-12-8-4-5-9-13(12)23(16(15)25)10-14(24)20-11-6-2-1-3-7-11/h1-9,25H,10H2,(H3,18,19)(H,20,24)/b22-21+.
What are the key properties of 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide?
2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide has a molecular weight of 336.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2304852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).