ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate

C17H15Cl2NO3 — CID 4863389

IUPACethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2c(Cl)cc(Cl)cc2OC)cc1
InChIInChI=1S/C17H15Cl2NO3/c1-3-23-17(21)11-4-6-13(7-5-11)20-10-14-15(19)8-12(18)9-16(14)22-2/h4-10H,3H2,1-2H3/b20-10+
InChIKeyBGDAYJIEOICTCE-KEBDBYFISA-N
MW352.22 g/mol
LogP4.93
Rot. Bonds5

About ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate

ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate (PubChem CID 4863389) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate
PubChem CID4863389
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Nameethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2c(Cl)cc(Cl)cc2OC)cc1
InChIInChI=1S/C17H15Cl2NO3/c1-3-23-17(21)11-4-6-13(7-5-11)20-10-14-15(19)8-12(18)9-16(14)22-2/h4-10H,3H2,1-2H3/b20-10+
InChIKeyBGDAYJIEOICTCE-KEBDBYFISA-N
XLogP4.93
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-[(2,6-dichlorophenyl)methylideneamino]benzoate
CID 4506434
ethyl 4-[[2-hydroxy-4-[(4-methoxyphenyl)diazenyl]phenyl]methylideneamino]benzoate
CID 3578140
ethyl 4-[(3,4-dihydroxyphenyl)methylideneamino]benzoate
CID 3416784
ethyl 4-[(2-methanehydrazonoylhydrazinyl)methylideneamino]benzoate
CID 57360950
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 767234
ethyl 4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]benzoate
CID 1286584
ethyl 5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indole-2-carboxylate
CID 135939797
ethyl 4-[(2-hydroxy-3-iodo-5-methylphenyl)methylideneamino]benzoate
CID 4095582
ethyl 4-[[1,2-diamino-2-(4-ethoxycarbonylphenyl)iminoethylidene]amino]benzoate
CID 6341789
ethyl 4-[(5-bromo-2-hydroxy-1H-indol-3-yl)methylideneamino]benzoate
CID 137006345
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
N-(4-chlorophenyl)-1-(2,4,6-trichlorophenyl)methanimine
CID 23329324

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate?
The IUPAC name of ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate (CID 4863389) is ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate.
What is the SMILES notation for ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate?
The canonical SMILES for ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate is CCOC(=O)c1ccc(/N=C/c2c(Cl)cc(Cl)cc2OC)cc1.
What is the InChIKey of ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate?
The InChIKey is BGDAYJIEOICTCE-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-3-23-17(21)11-4-6-13(7-5-11)20-10-14-15(19)8-12(18)9-16(14)22-2/h4-10H,3H2,1-2H3/b20-10+.
What are the key properties of ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate?
ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate has a molecular weight of 352.22 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dichloro-6-methoxyphenyl)methylideneamino]benzoate is sourced from PubChem (CID 4863389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).