N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide

C22H19BrN2O4 — CID 135683134

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C22H19BrN2O4/c23-18-6-11-21(26)17(12-18)13-24-25-22(27)15-29-20-9-7-19(8-10-20)28-14-16-4-2-1-3-5-16/h1-13,26H,14-15H2,(H,25,27)/b24-13+
InChIKeyQZXCSMTXNXUHEK-ZMOGYAJESA-N
MW455.31 g/mol
LogP4.26
Rot. Bonds8

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide (PubChem CID 135683134) has the molecular formula C22H19BrN2O4 and a molecular weight of 455.31 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
PubChem CID135683134
Molecular FormulaC22H19BrN2O4
Molecular Weight455.31 g/mol
Exact Mass454.05
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C22H19BrN2O4/c23-18-6-11-21(26)17(12-18)13-24-25-22(27)15-29-20-9-7-19(8-10-20)28-14-16-4-2-1-3-5-16/h1-13,26H,14-15H2,(H,25,27)/b24-13+
InChIKeyQZXCSMTXNXUHEK-ZMOGYAJESA-N
XLogP4.26
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 4260574
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615
[4-bromo-2-[(E)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060454
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-hydroxyphenoxy)acetamide
CID 136732387
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
N-[(E)-(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 6874050
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 4561292
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 135604322
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 3127374
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135560373

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide (CID 135683134) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
The InChIKey is QZXCSMTXNXUHEK-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H19BrN2O4/c23-18-6-11-21(26)17(12-18)13-24-25-22(27)15-29-20-9-7-19(8-10-20)28-14-16-4-2-1-3-5-16/h1-13,26H,14-15H2,(H,25,27)/b24-13+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide has a molecular weight of 455.31 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide is sourced from PubChem (CID 135683134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).