N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide

C24H23BrN2O3 — CID 4216384

IUPACN-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cccc(OCc3cccc(Br)c3)c2)cc1C
InChIInChI=1S/C24H23BrN2O3/c1-17-9-10-23(11-18(17)2)30-16-24(28)27-26-14-19-5-4-8-22(13-19)29-15-20-6-3-7-21(25)12-20/h3-14H,15-16H2,1-2H3,(H,27,28)
InChIKeyQHULNURWSJTYSD-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.17
Rot. Bonds8

About N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide

N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 4216384) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID4216384
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC NameN-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NN=Cc2cccc(OCc3cccc(Br)c3)c2)cc1C
InChIInChI=1S/C24H23BrN2O3/c1-17-9-10-23(11-18(17)2)30-16-24(28)27-26-14-19-5-4-8-22(13-19)29-15-20-6-3-7-21(25)12-20/h3-14H,15-16H2,1-2H3,(H,27,28)
InChIKeyQHULNURWSJTYSD-UHFFFAOYSA-N
XLogP5.17
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.17
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-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6172690
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 4128401
[3-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 46502107
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
4-bromo-N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3685682
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 19190864
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316103
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2392759
N-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126381101

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide (CID 4216384) is N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NN=Cc2cccc(OCc3cccc(Br)c3)c2)cc1C.
What is the InChIKey of N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is QHULNURWSJTYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-17-9-10-23(11-18(17)2)30-16-24(28)27-26-14-19-5-4-8-22(13-19)29-15-20-6-3-7-21(25)12-20/h3-14H,15-16H2,1-2H3,(H,27,28).
What are the key properties of N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide?
N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 467.36 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 4216384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).