N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide

C18H16N4O3 — CID 4997686

IUPACN-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H16N4O3/c23-15(10-11-19-17(24)12-6-2-1-3-7-12)21-22-16-13-8-4-5-9-14(13)20-18(16)25/h1-9,20,25H,10-11H2,(H,19,24)/b22-21+
InChIKeySUMOKPIHVGAOAB-QURGRASLSA-N
MW336.35 g/mol
LogP3.30
Rot. Bonds5

About N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide

N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide (PubChem CID 4997686) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
PubChem CID4997686
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C18H16N4O3/c23-15(10-11-19-17(24)12-6-2-1-3-7-12)21-22-16-13-8-4-5-9-14(13)20-18(16)25/h1-9,20,25H,10-11H2,(H,19,24)/b22-21+
InChIKeySUMOKPIHVGAOAB-QURGRASLSA-N
XLogP3.30
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide (CID 4997686) is N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide?
The InChIKey is SUMOKPIHVGAOAB-QURGRASLSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-15(10-11-19-17(24)12-6-2-1-3-7-12)21-22-16-13-8-4-5-9-14(13)20-18(16)25/h1-9,20,25H,10-11H2,(H,19,24)/b22-21+.
What are the key properties of N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide?
N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide has a molecular weight of 336.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4997686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).