5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide

C18H15BrClN3O2 — CID 73351355

IUPAC5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C18H15BrClN3O2/c1-10(16-8-11-7-13(20)4-5-15(11)23(16)2)21-22-18(25)14-9-12(19)3-6-17(14)24/h3-9,24H,1-2H3,(H,22,25)
InChIKeyUAOSXGJONUHITM-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.45
Rot. Bonds3

About 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide

5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 73351355) has the molecular formula C18H15BrClN3O2 and a molecular weight of 420.69 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
PubChem CID73351355
Molecular FormulaC18H15BrClN3O2
Molecular Weight420.69 g/mol
Exact Mass419.00
IUPAC Name5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C18H15BrClN3O2/c1-10(16-8-11-7-13(20)4-5-15(11)23(16)2)21-22-18(25)14-9-12(19)3-6-17(14)24/h3-9,24H,1-2H3,(H,22,25)
InChIKeyUAOSXGJONUHITM-UHFFFAOYSA-N
XLogP4.45
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.45
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide (CID 73351355) is 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide is CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(Cl)ccc2n1C.
What is the InChIKey of 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is UAOSXGJONUHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O2/c1-10(16-8-11-7-13(20)4-5-15(11)23(16)2)21-22-18(25)14-9-12(19)3-6-17(14)24/h3-9,24H,1-2H3,(H,22,25).
What are the key properties of 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 420.69 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-chloro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 73351355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).