ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate

C18H17BrClNO4 — CID 1478246

IUPACethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1c(/C=N/c2cccc(Cl)c2)cc(Br)cc1OC
InChIInChI=1S/C18H17BrClNO4/c1-3-24-17(22)11-25-18-12(7-13(19)8-16(18)23-2)10-21-15-6-4-5-14(20)9-15/h4-10H,3,11H2,1-2H3/b21-10+
InChIKeyCPQBCOAVFGTSEX-UFFVCSGVSA-N
MW426.69 g/mol
LogP4.80
Rot. Bonds7

About ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate

ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate (PubChem CID 1478246) has the molecular formula C18H17BrClNO4 and a molecular weight of 426.69 g/mol. Its IUPAC name is ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate
PubChem CID1478246
Molecular FormulaC18H17BrClNO4
Molecular Weight426.69 g/mol
Exact Mass425.00
IUPAC Nameethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1c(/C=N/c2cccc(Cl)c2)cc(Br)cc1OC
InChIInChI=1S/C18H17BrClNO4/c1-3-24-17(22)11-25-18-12(7-13(19)8-16(18)23-2)10-21-15-6-4-5-14(20)9-15/h4-10H,3,11H2,1-2H3/b21-10+
InChIKeyCPQBCOAVFGTSEX-UFFVCSGVSA-N
XLogP4.80
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.69
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate 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

ethyl 2-[4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenoxy]acetate
CID 1478243
ethyl 2-[2-bromo-4-[[[2-[(3-chlorobenzoyl)amino]-3-methylbutanoyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 3312045
ethyl 2-[4-bromo-2-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetate
CID 126319218
ethyl 2-[4-[[[4-(3-chloroanilino)-4-oxobutanoyl]hydrazinylidene]methyl]-2-iodo-6-methoxyphenoxy]acetate
CID 3477206
ethyl 2-[4-bromo-2-methoxy-6-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]acetate
CID 126299209
ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126208707
ethyl 2-[2-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]-4-chloro-6-methoxyphenoxy]acetate
CID 126333458
ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)acetate
CID 112620712
methyl 3-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 1480080
1-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(3-chlorophenyl)methanimine
CID 126391506
5-chloro-2-(2-ethoxy-2-oxoethoxy)-3-methoxybenzoic acid
CID 113438814
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate (CID 1478246) is ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate is CCOC(=O)COc1c(/C=N/c2cccc(Cl)c2)cc(Br)cc1OC.
What is the InChIKey of ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate?
The InChIKey is CPQBCOAVFGTSEX-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H17BrClNO4/c1-3-24-17(22)11-25-18-12(7-13(19)8-16(18)23-2)10-21-15-6-4-5-14(20)9-15/h4-10H,3,11H2,1-2H3/b21-10+.
What are the key properties of ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate?
ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate has a molecular weight of 426.69 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-bromo-2-[(3-chlorophenyl)iminomethyl]-6-methoxyphenoxy]acetate is sourced from PubChem (CID 1478246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).