ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate

C24H22ClNO3 — CID 91930690

IUPACethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(/C=N/c1ccccc1Cl)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22ClNO3/c1-2-28-24(27)21(16-26-23-11-7-6-10-22(23)25)19-12-14-20(15-13-19)29-17-18-8-4-3-5-9-18/h3-16,21H,2,17H2,1H3/b26-16+
InChIKeyFAVGXXBBILGNIC-WGOQTCKBSA-N
MW407.90 g/mol
LogP5.97
Rot. Bonds8

About ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate

ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate (PubChem CID 91930690) has the molecular formula C24H22ClNO3 and a molecular weight of 407.90 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate
PubChem CID91930690
Molecular FormulaC24H22ClNO3
Molecular Weight407.90 g/mol
Exact Mass407.13
IUPAC Nameethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate
SMILESCCOC(=O)C(/C=N/c1ccccc1Cl)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22ClNO3/c1-2-28-24(27)21(16-26-23-11-7-6-10-22(23)25)19-12-14-20(15-13-19)29-17-18-8-4-3-5-9-18/h3-16,21H,2,17H2,1H3/b26-16+
InChIKeyFAVGXXBBILGNIC-WGOQTCKBSA-N
XLogP5.97
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.90
LogP ≤ 55.97
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

ethyl 3-(4-fluorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate
CID 91930691
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171250179
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
ethyl 2-hydroxy-4-oxo-3-(4-phenylmethoxyphenyl)heptanoate
CID 67374003
ethyl 4-hydroxy-3-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 69110170
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625711
ethyl 3-(4-bromophenyl)imino-2-phenylpropanoate
CID 86716060
Ethyl 3-[4-(benzyloxy)phenyl]-2-methyl-3-oxopropanoate lithium salt
CID 69109805
diethyl 2-[2-benzyl-3-(4-phenylmethoxyphenyl)propyl]propanedioate
CID 174424237
diethyl 2-[(4-phenylmethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)propanedioate
CID 18625725
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate (CID 91930690) is ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate is CCOC(=O)C(/C=N/c1ccccc1Cl)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is FAVGXXBBILGNIC-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H22ClNO3/c1-2-28-24(27)21(16-26-23-11-7-6-10-22(23)25)19-12-14-20(15-13-19)29-17-18-8-4-3-5-9-18/h3-16,21H,2,17H2,1H3/b26-16+.
What are the key properties of ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate?
ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 407.90 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)imino-2-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 91930690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).