N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide

C22H16ClN3O3 — CID 3532404

IUPACN-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C22H16ClN3O3/c23-15-10-11-19(27)17(12-15)21(28)25-24-20-16-8-4-5-9-18(16)26(22(20)29)13-14-6-2-1-3-7-14/h1-12,27,29H,13H2/b25-24+
InChIKeyMPPQADOWHTWRHG-OCOZRVBESA-N
MW405.84 g/mol
LogP5.68
Rot. Bonds4

About N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide

N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide (PubChem CID 3532404) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
PubChem CID3532404
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC NameN-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1cc(Cl)ccc1O
InChIInChI=1S/C22H16ClN3O3/c23-15-10-11-19(27)17(12-15)21(28)25-24-20-16-8-4-5-9-18(16)26(22(20)29)13-14-6-2-1-3-7-14/h1-12,27,29H,13H2/b25-24+
InChIKeyMPPQADOWHTWRHG-OCOZRVBESA-N
XLogP5.68
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 55.68
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-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide (CID 3532404) is N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide is O=C(/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12)c1cc(Cl)ccc1O.
What is the InChIKey of N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide?
The InChIKey is MPPQADOWHTWRHG-OCOZRVBESA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-15-10-11-19(27)17(12-15)21(28)25-24-20-16-8-4-5-9-18(16)26(22(20)29)13-14-6-2-1-3-7-14/h1-12,27,29H,13H2/b25-24+.
What are the key properties of N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide?
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide has a molecular weight of 405.84 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 3532404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).