5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide

C25H24BrN3O5 — CID 126070863

IUPAC5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H24BrN3O5/c1-3-33-23-12-17(14-27-29-25(32)20-13-18(26)7-10-21(20)30)6-11-22(23)34-15-24(31)28-19-8-4-16(2)5-9-19/h4-14,30H,3,15H2,1-2H3,(H,28,31)(H,29,32)/b27-14-
InChIKeyPPGWDXWTDZBXIG-VYYCAZPPSA-N
MW526.39 g/mol
LogP4.64
Rot. Bonds9

About 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide

5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 126070863) has the molecular formula C25H24BrN3O5 and a molecular weight of 526.39 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID126070863
Molecular FormulaC25H24BrN3O5
Molecular Weight526.39 g/mol
Exact Mass525.09
IUPAC Name5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C25H24BrN3O5/c1-3-33-23-12-17(14-27-29-25(32)20-13-18(26)7-10-21(20)30)6-11-22(23)34-15-24(31)28-19-8-4-16(2)5-9-19/h4-14,30H,3,15H2,1-2H3,(H,28,31)(H,29,32)/b27-14-
InChIKeyPPGWDXWTDZBXIG-VYYCAZPPSA-N
XLogP4.64
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.39
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3,5-dibromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide
CID 126027487
N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 126023935
5-bromo-N-[(Z)-[3-ethoxy-4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 126018317
N-[(Z)-[4-[2-[4-(1-adamantyl)anilino]-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-5-bromo-2-methoxybenzamide
CID 126026631
ethyl 2-[5-[(Z)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126217235
5-bromo-2-hydroxy-N-[(Z)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126072144
N-[(E)-[3-ethoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126270249
N-[(E)-[3-bromo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126330604
N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 126022472
5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
N-[(E)-[3,5-dibromo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126326052
2-[4-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 126020298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide (CID 126070863) is 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide is CCOc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is PPGWDXWTDZBXIG-VYYCAZPPSA-N. The full InChI is InChI=1S/C25H24BrN3O5/c1-3-33-23-12-17(14-27-29-25(32)20-13-18(26)7-10-21(20)30)6-11-22(23)34-15-24(31)28-19-8-4-16(2)5-9-19/h4-14,30H,3,15H2,1-2H3,(H,28,31)(H,29,32)/b27-14-.
What are the key properties of 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide?
5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 526.39 g/mol, XLogP of 4.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 126070863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).