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

C18H15BrFN3O2 — CID 73348269

IUPAC5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2n1C
InChIInChI=1S/C18H15BrFN3O2/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)
InChIKeyFYPAIPDWDINBOL-UHFFFAOYSA-N
MW404.24 g/mol
LogP3.94
Rot. Bonds3

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

5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 73348269) has the molecular formula C18H15BrFN3O2 and a molecular weight of 404.24 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
PubChem CID73348269
Molecular FormulaC18H15BrFN3O2
Molecular Weight404.24 g/mol
Exact Mass403.03
IUPAC Name5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2n1C
InChIInChI=1S/C18H15BrFN3O2/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)
InChIKeyFYPAIPDWDINBOL-UHFFFAOYSA-N
XLogP3.94
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 53.94
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
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-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
5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)propylideneamino]benzamide
CID 73352812
5-bromo-2-hydroxy-N-[1-(1-methylindol-2-yl)ethylideneamino]benzamide
CID 73352814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide (CID 73348269) is 5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide is CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2n1C.
What is the InChIKey of 5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is FYPAIPDWDINBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O2/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-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide?
5-bromo-N-[1-(5-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 404.24 g/mol, XLogP of 3.94, 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-fluoro-1-methylindol-2-yl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 73348269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).