5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide

C23H19Br2N3O3 — CID 158561151

IUPAC5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide
SMILES[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Br)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C23H19Br2N3O3/c1-13(26)14-3-5-15(6-4-14)20(29)11-18-19(9-17(25)10-21(18)31-2)23(30)28-22-8-7-16(24)12-27-22/h3-10,12,26H,11H2,1-2H3,(H,27,28,30)/b26-13+
InChIKeyORPPVMFXMSEKNG-LGJNPRDNSA-N
MW545.23 g/mol
LogP5.68
Rot. Bonds7

About 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide

5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 158561151) has the molecular formula C23H19Br2N3O3 and a molecular weight of 545.23 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide
PubChem CID158561151
Molecular FormulaC23H19Br2N3O3
Molecular Weight545.23 g/mol
Exact Mass542.98
IUPAC Name5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide
SMILES[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Br)cc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C23H19Br2N3O3/c1-13(26)14-3-5-15(6-4-14)20(29)11-18-19(9-17(25)10-21(18)31-2)23(30)28-22-8-7-16(24)12-27-22/h3-10,12,26H,11H2,1-2H3,(H,27,28,30)/b26-13+
InChIKeyORPPVMFXMSEKNG-LGJNPRDNSA-N
XLogP5.68
TPSA92.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.23
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-hydroxybenzamide
CID 148756430
2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide
CID 157462733
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
N-(5-bromo-2-pyridinyl)-4,5-dimethoxy-2-[[(E)-2-methylbut-2-enoyl]amino]benzamide
CID 142083421
N-(5-bromo-2-pyridinyl)-4-methoxy-2,3-dimethylbenzamide
CID 115274006
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
2-amino-N-(5-bromo-2-pyridinyl)-6-methoxybenzamide
CID 81410023
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]-2-oxoethyl]-3-methoxybenzamide;methane
CID 158673268
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;methane
CID 157377791
N-(5-bromo-2-pyridinyl)-5-chloro-3-methoxy-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728074
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
CID 115274010

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide (CID 158561151) is 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide is [H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Br)cc2C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is ORPPVMFXMSEKNG-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H19Br2N3O3/c1-13(26)14-3-5-15(6-4-14)20(29)11-18-19(9-17(25)10-21(18)31-2)23(30)28-22-8-7-16(24)12-27-22/h3-10,12,26H,11H2,1-2H3,(H,27,28,30)/b26-13+.
What are the key properties of 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide?
5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 545.23 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 158561151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).