2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide

C19H20Br2N2O4 — CID 19189995

IUPAC2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C19H20Br2N2O4/c1-3-8-26-17-6-4-13(9-18(17)25-2)11-22-23-19(24)12-27-16-7-5-14(20)10-15(16)21/h4-7,9-11H,3,8,12H2,1-2H3,(H,23,24)/b22-11+
InChIKeyMSTYVJNLYFOGFL-SSDVNMTOSA-N
MW500.19 g/mol
LogP4.54
Rot. Bonds9

About 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide

2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 19189995) has the molecular formula C19H20Br2N2O4 and a molecular weight of 500.19 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
PubChem CID19189995
Molecular FormulaC19H20Br2N2O4
Molecular Weight500.19 g/mol
Exact Mass497.98
IUPAC Name2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC
InChIInChI=1S/C19H20Br2N2O4/c1-3-8-26-17-6-4-13(9-18(17)25-2)11-22-23-19(24)12-27-16-7-5-14(20)10-15(16)21/h4-7,9-11H,3,8,12H2,1-2H3,(H,23,24)/b22-11+
InChIKeyMSTYVJNLYFOGFL-SSDVNMTOSA-N
XLogP4.54
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.19
LogP ≤ 54.54
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

2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 19207986
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 19190052
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19208361
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190083
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190081
2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135604458
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-(4-bromo-2-chlorophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135589008
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 19208380
2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
CID 1138563
2-(2,4-dibromophenoxy)-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 5089742

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide (CID 19189995) is 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Br)cc1OC.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is MSTYVJNLYFOGFL-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H20Br2N2O4/c1-3-8-26-17-6-4-13(9-18(17)25-2)11-22-23-19(24)12-27-16-7-5-14(20)10-15(16)21/h4-7,9-11H,3,8,12H2,1-2H3,(H,23,24)/b22-11+.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide?
2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 500.19 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19189995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).