5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide

C23H18BrN3O2 — CID 73345230

IUPAC5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide
SMILESCn1c(C(=NNC(=O)c2cc(Br)ccc2O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-16(19)13-20(27)22(15-7-3-2-4-8-15)25-26-23(29)18-14-17(24)11-12-21(18)28/h2-14,28H,1H3,(H,26,29)
InChIKeyASLYMHMCCPQQDZ-UHFFFAOYSA-N
MW448.32 g/mol
LogP4.83
Rot. Bonds4

About 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide

5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide (PubChem CID 73345230) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide
PubChem CID73345230
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC Name5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide
SMILESCn1c(C(=NNC(=O)c2cc(Br)ccc2O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-16(19)13-20(27)22(15-7-3-2-4-8-15)25-26-23(29)18-14-17(24)11-12-21(18)28/h2-14,28H,1H3,(H,26,29)
InChIKeyASLYMHMCCPQQDZ-UHFFFAOYSA-N
XLogP4.83
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N'-[(E)-(1-methyl-1H-indol-3-yl)methylidene]benzohydrazide
CID 9563241
5-Bromo-2-hydroxy-N'-[(E)-(6-methylpyridin-2-YL)methylidene]benzohydrazide
CID 9611081
2-(3-(2-(5-bromo-2-hydroxybenzoyl)hydrazono)-2-oxoindolin-1-yl)-N-p-tolylacetamide
CID 1048811
5-bromo-N-[1-(5-bromo-1-methylindol-2-yl)propylideneamino]-2-hydroxybenzamide
CID 73345229
5-bromo-N-[1-(5,6-difluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 73345233
5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
CID 73346760
5-bromo-2-hydroxy-N-[1-(4,5,6-trifluoro-1-methylindol-2-yl)ethylideneamino]benzamide
CID 73346761
5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 73348269
5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
CID 73349842
5-bromo-2-hydroxy-N-[1-(5-methoxy-1-methylindol-2-yl)ethylideneamino]benzamide
CID 73349843
2-hydroxy-5-iodo-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
CID 73351354
5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 73351355

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide (CID 73345230) is 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide is Cn1c(C(=NNC(=O)c2cc(Br)ccc2O)c2ccccc2)cc2ccccc21.
What is the InChIKey of 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide?
The InChIKey is ASLYMHMCCPQQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c1-27-19-10-6-5-9-16(19)13-20(27)22(15-7-3-2-4-8-15)25-26-23(29)18-14-17(24)11-12-21(18)28/h2-14,28H,1H3,(H,26,29).
What are the key properties of 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide?
5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide has a molecular weight of 448.32 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[[(1-methylindol-2-yl)-phenylmethylidene]amino]benzamide is sourced from PubChem (CID 73345230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).