N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide

C20H22Br2N2O3 — CID 19208470

IUPACN-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC)c(Br)c1
InChIInChI=1S/C20H22Br2N2O3/c1-3-5-14-6-8-19(17(22)10-14)27-13-20(25)24-23-12-15-11-16(21)7-9-18(15)26-4-2/h6-12H,3-5,13H2,1-2H3,(H,24,25)/b23-12+
InChIKeyTYFQSBACSMRRSK-FSJBWODESA-N
MW498.22 g/mol
LogP5.09
Rot. Bonds9

About N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide

N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide (PubChem CID 19208470) has the molecular formula C20H22Br2N2O3 and a molecular weight of 498.22 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide
PubChem CID19208470
Molecular FormulaC20H22Br2N2O3
Molecular Weight498.22 g/mol
Exact Mass496.00
IUPAC NameN-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC)c(Br)c1
InChIInChI=1S/C20H22Br2N2O3/c1-3-5-14-6-8-19(17(22)10-14)27-13-20(25)24-23-12-15-11-16(21)7-9-18(15)26-4-2/h6-12H,3-5,13H2,1-2H3,(H,24,25)/b23-12+
InChIKeyTYFQSBACSMRRSK-FSJBWODESA-N
XLogP5.09
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.22
LogP ≤ 55.09
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'}

Analyze N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 6876568
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-(2-bromo-4-methylphenoxy)butanamide
CID 19208092
2-(4-bromo-2-chlorophenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4631727
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 4260574
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 6869999
2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135604458
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
CID 4922199
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4628201
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4175101
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide (CID 19208470) is N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC)c(Br)c1.
What is the InChIKey of N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide?
The InChIKey is TYFQSBACSMRRSK-FSJBWODESA-N. The full InChI is InChI=1S/C20H22Br2N2O3/c1-3-5-14-6-8-19(17(22)10-14)27-13-20(25)24-23-12-15-11-16(21)7-9-18(15)26-4-2/h6-12H,3-5,13H2,1-2H3,(H,24,25)/b23-12+.
What are the key properties of N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide?
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide has a molecular weight of 498.22 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2-bromo-4-propylphenoxy)acetamide is sourced from PubChem (CID 19208470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).