2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide

C28H22BrClN2O3 — CID 19189850

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C28H22BrClN2O3/c29-25-16-22(21-6-2-1-3-7-21)12-15-27(25)35-19-28(33)32-31-17-20-10-13-24(14-11-20)34-18-23-8-4-5-9-26(23)30/h1-17H,18-19H2,(H,32,33)/b31-17+
InChIKeyWACKSFQUAMJIOJ-KBVAKVRCSA-N
MW549.85 g/mol
LogP6.88
Rot. Bonds9

About 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 19189850) has the molecular formula C28H22BrClN2O3 and a molecular weight of 549.85 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID19189850
Molecular FormulaC28H22BrClN2O3
Molecular Weight549.85 g/mol
Exact Mass548.05
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C28H22BrClN2O3/c29-25-16-22(21-6-2-1-3-7-21)12-15-27(25)35-19-28(33)32-31-17-20-10-13-24(14-11-20)34-18-23-8-4-5-9-26(23)30/h1-17H,18-19H2,(H,32,33)/b31-17+
InChIKeyWACKSFQUAMJIOJ-KBVAKVRCSA-N
XLogP6.88
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.85
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189856
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190499
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 71950723
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19189842
2-(4-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169684
2-(2-bromo-4-phenylphenoxy)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 19190177
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 135825107
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 19190115
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide
CID 171131950
[4-[(E)-[[2-(2-bromo-4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 46502605

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide (CID 19189850) is 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is O=C(COc1ccc(-c2ccccc2)cc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is WACKSFQUAMJIOJ-KBVAKVRCSA-N. The full InChI is InChI=1S/C28H22BrClN2O3/c29-25-16-22(21-6-2-1-3-7-21)12-15-27(25)35-19-28(33)32-31-17-20-10-13-24(14-11-20)34-18-23-8-4-5-9-26(23)30/h1-17H,18-19H2,(H,32,33)/b31-17+.
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 549.85 g/mol, XLogP of 6.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 19189850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).