N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide

C18H16N4O3 — CID 821643

IUPACN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N4O3/c1-22-14-10-6-5-9-13(14)16(18(22)25)21-20-15(23)11-19-17(24)12-7-3-2-4-8-12/h2-10,25H,11H2,1H3,(H,19,24)/b21-20+
InChIKeySMWSDNDXDFCVTL-QZQOTICOSA-N
MW336.35 g/mol
LogP2.92
Rot. Bonds4

About N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide

N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (PubChem CID 821643) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
PubChem CID821643
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N4O3/c1-22-14-10-6-5-9-13(14)16(18(22)25)21-20-15(23)11-19-17(24)12-7-3-2-4-8-12/h2-10,25H,11H2,1H3,(H,19,24)/b21-20+
InChIKeySMWSDNDXDFCVTL-QZQOTICOSA-N
XLogP2.92
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.92
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (CID 821643) is N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is Cn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The InChIKey is SMWSDNDXDFCVTL-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-22-14-10-6-5-9-13(14)16(18(22)25)21-20-15(23)11-19-17(24)12-7-3-2-4-8-12/h2-10,25H,11H2,1H3,(H,19,24)/b21-20+.
What are the key properties of N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide has a molecular weight of 336.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 821643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).