5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide

C19H18BrN3O3 — CID 73346760

IUPAC5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
SMILESCOc1cc(O)c(C(=O)NN=C(C)c2cc3ccccc3n2C)cc1Br
InChIInChI=1S/C19H18BrN3O3/c1-11(16-8-12-6-4-5-7-15(12)23(16)2)21-22-19(25)13-9-14(20)18(26-3)10-17(13)24/h4-10,24H,1-3H3,(H,22,25)
InChIKeyHMIICCGUWAUSCK-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.81
Rot. Bonds4

About 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide

5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide (PubChem CID 73346760) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
PubChem CID73346760
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
SMILESCOc1cc(O)c(C(=O)NN=C(C)c2cc3ccccc3n2C)cc1Br
InChIInChI=1S/C19H18BrN3O3/c1-11(16-8-12-6-4-5-7-15(12)23(16)2)21-22-19(25)13-9-14(20)18(26-3)10-17(13)24/h4-10,24H,1-3H3,(H,22,25)
InChIKeyHMIICCGUWAUSCK-UHFFFAOYSA-N
XLogP3.81
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide (CID 73346760) is 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide is COc1cc(O)c(C(=O)NN=C(C)c2cc3ccccc3n2C)cc1Br.
What is the InChIKey of 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide?
The InChIKey is HMIICCGUWAUSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-11(16-8-12-6-4-5-7-15(12)23(16)2)21-22-19(25)13-9-14(20)18(26-3)10-17(13)24/h4-10,24H,1-3H3,(H,22,25).
What are the key properties of 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide?
5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide has a molecular weight of 416.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-4-methoxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 73346760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).