N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide

C24H23BrN2O4 — CID 6150699

IUPACN-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
SMILESCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2cccc(OC)c2)cc1
InChIInChI=1S/C24H23BrN2O4/c1-3-30-23-12-9-20(25)14-19(23)15-26-27-24(28)18-7-10-21(11-8-18)31-16-17-5-4-6-22(13-17)29-2/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15-
InChIKeyYYEWMFZYKDACAP-YSMPRRRNSA-N
MW483.36 g/mol
LogP5.20
Rot. Bonds9

About N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide

N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide (PubChem CID 6150699) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
PubChem CID6150699
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC NameN-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
SMILESCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2cccc(OC)c2)cc1
InChIInChI=1S/C24H23BrN2O4/c1-3-30-23-12-9-20(25)14-19(23)15-26-27-24(28)18-7-10-21(11-8-18)31-16-17-5-4-6-22(13-17)29-2/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15-
InChIKeyYYEWMFZYKDACAP-YSMPRRRNSA-N
XLogP5.20
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.36
LogP ≤ 55.20
H-Bond Donors ≤ 51
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-[(3-bromophenyl)methoxy]-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135801516
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3797767
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 4260574
2-ethoxy-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6028587
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
N-[(E)-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126326772
N-[(E)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126331818
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124541270
2-[4-bromo-2-[(E)-[(3-ethoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126324032
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
CID 6279107

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide?
The IUPAC name of N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide (CID 6150699) is N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide is CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2cccc(OC)c2)cc1.
What is the InChIKey of N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide?
The InChIKey is YYEWMFZYKDACAP-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-3-30-23-12-9-20(25)14-19(23)15-26-27-24(28)18-7-10-21(11-8-18)31-16-17-5-4-6-22(13-17)29-2/h4-15H,3,16H2,1-2H3,(H,27,28)/b26-15-.
What are the key properties of N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide?
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide has a molecular weight of 483.36 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide is sourced from PubChem (CID 6150699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).