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

C22H18BrClN2O3 — CID 19189856

IUPAC2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H18BrClN2O3/c23-19-6-2-4-8-21(19)29-15-22(27)26-25-13-16-9-11-18(12-10-16)28-14-17-5-1-3-7-20(17)24/h1-13H,14-15H2,(H,26,27)/b25-13+
InChIKeyCCNLXIXSEWNWKV-DHRITJCHSA-N
MW473.75 g/mol
LogP5.21
Rot. Bonds8

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

2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 19189856) has the molecular formula C22H18BrClN2O3 and a molecular weight of 473.75 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID19189856
Molecular FormulaC22H18BrClN2O3
Molecular Weight473.75 g/mol
Exact Mass472.02
IUPAC Name2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESO=C(COc1ccccc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C22H18BrClN2O3/c23-19-6-2-4-8-21(19)29-15-22(27)26-25-13-16-9-11-18(12-10-16)28-14-17-5-1-3-7-20(17)24/h1-13H,14-15H2,(H,26,27)/b25-13+
InChIKeyCCNLXIXSEWNWKV-DHRITJCHSA-N
XLogP5.21
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.75
LogP ≤ 55.21
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

N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189850
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19189842
2-(2-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135610844
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 71950723
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
2-(4-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169684
2-(2-bromophenoxy)-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 6083444
3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenylbutanamide
CID 171131950
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide (CID 19189856) is 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is O=C(COc1ccccc1Br)N/N=C/c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is CCNLXIXSEWNWKV-DHRITJCHSA-N. The full InChI is InChI=1S/C22H18BrClN2O3/c23-19-6-2-4-8-21(19)29-15-22(27)26-25-13-16-9-11-18(12-10-16)28-14-17-5-1-3-7-20(17)24/h1-13H,14-15H2,(H,26,27)/b25-13+.
What are the key properties of 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 473.75 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 19189856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).