N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide

C24H22Br2N2O4 — CID 19190538

IUPACN-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
SMILESCCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC
InChIInChI=1S/C24H22Br2N2O4/c1-3-31-24-20(26)11-16(12-22(24)30-2)14-27-28-23(29)15-32-21-10-9-18(13-19(21)25)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,28,29)/b27-14+
InChIKeyVELJWCBBXFMWOY-MZJWZYIUSA-N
MW562.26 g/mol
LogP5.82
Rot. Bonds9

About N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide

N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide (PubChem CID 19190538) has the molecular formula C24H22Br2N2O4 and a molecular weight of 562.26 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
PubChem CID19190538
Molecular FormulaC24H22Br2N2O4
Molecular Weight562.26 g/mol
Exact Mass559.99
IUPAC NameN-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
SMILESCCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC
InChIInChI=1S/C24H22Br2N2O4/c1-3-31-24-20(26)11-16(12-22(24)30-2)14-27-28-23(29)15-32-21-10-9-18(13-19(21)25)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,28,29)/b27-14+
InChIKeyVELJWCBBXFMWOY-MZJWZYIUSA-N
XLogP5.82
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.26
LogP ≤ 55.82
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

N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 135825107
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190663
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19190612
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19190177
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190081
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19207935
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 19190528
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-(2-bromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3995344
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6231186
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135614407

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide (CID 19190538) is N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide is CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1OC.
What is the InChIKey of N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide?
The InChIKey is VELJWCBBXFMWOY-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H22Br2N2O4/c1-3-31-24-20(26)11-16(12-22(24)30-2)14-27-28-23(29)15-32-21-10-9-18(13-19(21)25)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3,(H,28,29)/b27-14+.
What are the key properties of N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide?
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide has a molecular weight of 562.26 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide is sourced from PubChem (CID 19190538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).