N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide

C18H19BrN2O3 — CID 19182426

IUPACN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C18H19BrN2O3/c1-3-13-5-4-6-15(9-13)24-12-18(22)21-20-11-14-7-8-17(23-2)16(19)10-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+
InChIKeyOIQRFTMBGSGCKQ-RGVLZGJSSA-N
MW391.27 g/mol
LogP3.55
Rot. Bonds7

About N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide

N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide (PubChem CID 19182426) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
PubChem CID19182426
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C18H19BrN2O3/c1-3-13-5-4-6-15(9-13)24-12-18(22)21-20-11-14-7-8-17(23-2)16(19)10-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+
InChIKeyOIQRFTMBGSGCKQ-RGVLZGJSSA-N
XLogP3.55
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.55
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)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)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)-(4-butoxy-3-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 19182762
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19165696
2-(3-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135533115
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 19165700
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
2-(2-bromo-4-ethylphenoxy)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 4628409
2-(2-bromo-4-ethylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135588989
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 19190528
2-(2-bromo-4-ethylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 4628414
2-(2-bromo-4-ethylphenoxy)-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 4981068

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide (CID 19182426) is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c1.
What is the InChIKey of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide?
The InChIKey is OIQRFTMBGSGCKQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-13-5-4-6-15(9-13)24-12-18(22)21-20-11-14-7-8-17(23-2)16(19)10-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+.
What are the key properties of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide?
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 19182426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).