2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide

C21H16N2O4 — CID 91534823

IUPAC2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1cc2ccccc2[nH]1)c1ccc(O)c(O)c1O
InChIInChI=1S/C21H16N2O4/c24-18-10-9-14(19(25)20(18)26)21(27)23-16-8-4-2-6-13(16)17-11-12-5-1-3-7-15(12)22-17/h1-11,22,24-26H,(H,23,27)
InChIKeyOIONZVHFBPOTQI-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.20
Rot. Bonds3

About 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide

2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide (PubChem CID 91534823) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide
PubChem CID91534823
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1cc2ccccc2[nH]1)c1ccc(O)c(O)c1O
InChIInChI=1S/C21H16N2O4/c24-18-10-9-14(19(25)20(18)26)21(27)23-16-8-4-2-6-13(16)17-11-12-5-1-3-7-15(12)22-17/h1-11,22,24-26H,(H,23,27)
InChIKeyOIONZVHFBPOTQI-UHFFFAOYSA-N
XLogP4.20
TPSA105.58 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide?
The IUPAC name of 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide (CID 91534823) is 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1cc2ccccc2[nH]1)c1ccc(O)c(O)c1O.
What is the InChIKey of 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide?
The InChIKey is OIONZVHFBPOTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-18-10-9-14(19(25)20(18)26)21(27)23-16-8-4-2-6-13(16)17-11-12-5-1-3-7-15(12)22-17/h1-11,22,24-26H,(H,23,27).
What are the key properties of 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide?
2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide has a molecular weight of 360.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trihydroxy-N-[2-(1H-indol-2-yl)phenyl]benzamide is sourced from PubChem (CID 91534823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).