4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

C23H20BrN3O4 — CID 4279816

IUPAC4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccccc1C=NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H20BrN3O4/c1-30-21-9-5-3-7-19(21)26-22(28)15-31-20-8-4-2-6-17(20)14-25-27-23(29)16-10-12-18(24)13-11-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyWLVKTZRJZHZDSP-UHFFFAOYSA-N
MW482.33 g/mol
LogP4.24
Rot. Bonds8

About 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide

4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (PubChem CID 4279816) has the molecular formula C23H20BrN3O4 and a molecular weight of 482.33 g/mol. Its IUPAC name is 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
PubChem CID4279816
Molecular FormulaC23H20BrN3O4
Molecular Weight482.33 g/mol
Exact Mass481.06
IUPAC Name4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccccc1C=NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C23H20BrN3O4/c1-30-21-9-5-3-7-19(21)26-22(28)15-31-20-8-4-2-6-17(20)14-25-27-23(29)16-10-12-18(24)13-11-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyWLVKTZRJZHZDSP-UHFFFAOYSA-N
XLogP4.24
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.33
LogP ≤ 54.24
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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Related Compounds

4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678
4-chloro-N-[(E)-[5-chloro-2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124552187
N-[(E)-[5-bromo-2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126277150
4-bromo-N-[(E)-[3-chloro-5-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126382945
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
4-bromo-N-[(E)-[5-chloro-2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126269494
N-[[5-bromo-2-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 3639594
N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168618861
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126175158
5-bromo-2-hydroxy-N-[(Z)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126072144
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
4-bromo-N-[(E)-[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126263330

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide (CID 4279816) is 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is COc1ccccc1NC(=O)COc1ccccc1C=NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
The InChIKey is WLVKTZRJZHZDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O4/c1-30-21-9-5-3-7-19(21)26-22(28)15-31-20-8-4-2-6-17(20)14-25-27-23(29)16-10-12-18(24)13-11-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide?
4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide has a molecular weight of 482.33 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 4279816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).