N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide

C22H16BrN3O2 — CID 42992119

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C22H16BrN3O2/c23-20-3-1-2-17(12-20)14-25-26-22(27)15-28-21-10-8-19(9-11-21)18-6-4-16(13-24)5-7-18/h1-12,14H,15H2,(H,26,27)/b25-14+
InChIKeyOOLSTUMBFKBLDD-AFUMVMLFSA-N
MW434.29 g/mol
LogP4.52
Rot. Bonds6

About N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide (PubChem CID 42992119) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
PubChem CID42992119
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3cccc(Br)c3)cc2)cc1
InChIInChI=1S/C22H16BrN3O2/c23-20-3-1-2-17(12-20)14-25-26-22(27)15-28-21-10-8-19(9-11-21)18-6-4-16(13-24)5-7-18/h1-12,14H,15H2,(H,26,27)/b25-14+
InChIKeyOOLSTUMBFKBLDD-AFUMVMLFSA-N
XLogP4.52
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 54.52
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-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
2-(4-cyanophenoxy)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 2392759
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
N-[(Z)-[3-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6172690
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[(3-ethenylphenyl)methylideneamino]-2-[4-[2-[2-[(3-ethenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 75083253

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide (CID 42992119) is N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide is N#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3cccc(Br)c3)cc2)cc1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The InChIKey is OOLSTUMBFKBLDD-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c23-20-3-1-2-17(12-20)14-25-26-22(27)15-28-21-10-8-19(9-11-21)18-6-4-16(13-24)5-7-18/h1-12,14H,15H2,(H,26,27)/b25-14+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide has a molecular weight of 434.29 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide is sourced from PubChem (CID 42992119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).