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

C22H19BrN2O4 — CID 19190177

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1O
InChIInChI=1S/C22H19BrN2O4/c1-28-21-9-7-15(11-19(21)26)13-24-25-22(27)14-29-20-10-8-17(12-18(20)23)16-5-3-2-4-6-16/h2-13,26H,14H2,1H3,(H,25,27)/b24-13+
InChIKeyPTELQMARWNCTNC-ZMOGYAJESA-N
MW455.31 g/mol
LogP4.36
Rot. Bonds7

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

2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 19190177) has the molecular formula C22H19BrN2O4 and a molecular weight of 455.31 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
PubChem CID19190177
Molecular FormulaC22H19BrN2O4
Molecular Weight455.31 g/mol
Exact Mass454.05
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1O
InChIInChI=1S/C22H19BrN2O4/c1-28-21-9-7-15(11-19(21)26)13-24-25-22(27)14-29-20-10-8-17(12-18(20)23)16-5-3-2-4-6-16/h2-13,26H,14H2,1H3,(H,25,27)/b24-13+
InChIKeyPTELQMARWNCTNC-ZMOGYAJESA-N
XLogP4.36
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.36
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

2-(2-bromo-4-phenylphenoxy)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190081
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19190538
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 135825107
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190499
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19190663
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5404952
2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide
CID 1138563
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189850
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19207992
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 19165700

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide (CID 19190177) is 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1O.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is PTELQMARWNCTNC-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H19BrN2O4/c1-28-21-9-7-15(11-19(21)26)13-24-25-22(27)14-29-20-10-8-17(12-18(20)23)16-5-3-2-4-6-16/h2-13,26H,14H2,1H3,(H,25,27)/b24-13+.
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 455.31 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19190177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).