4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

C22H15N3O3 — CID 2309926

IUPAC4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H15N3O3/c26-20(14-6-2-1-3-7-14)15-10-12-16(13-11-15)21(27)25-24-19-17-8-4-5-9-18(17)23-22(19)28/h1-13,23,28H/b25-24+
InChIKeyWYESTLRYYHOOOT-OCOZRVBESA-N
MW369.38 g/mol
LogP5.03
Rot. Bonds4

About 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 2309926) has the molecular formula C22H15N3O3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID2309926
Molecular FormulaC22H15N3O3
Molecular Weight369.38 g/mol
Exact Mass369.11
IUPAC Name4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H15N3O3/c26-20(14-6-2-1-3-7-14)15-10-12-16(13-11-15)21(27)25-24-19-17-8-4-5-9-18(17)23-22(19)28/h1-13,23,28H/b25-24+
InChIKeyWYESTLRYYHOOOT-OCOZRVBESA-N
XLogP5.03
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.03
H-Bond Donors ≤ 52
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 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 2309926) is 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is WYESTLRYYHOOOT-OCOZRVBESA-N. The full InChI is InChI=1S/C22H15N3O3/c26-20(14-6-2-1-3-7-14)15-10-12-16(13-11-15)21(27)25-24-19-17-8-4-5-9-18(17)23-22(19)28/h1-13,23,28H/b25-24+.
What are the key properties of 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 369.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 2309926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).