[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate

C21H17ClN2O2 — CID 43915241

IUPAC[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)O/N=C(\c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O2/c22-19-9-7-17(8-10-19)21(18-12-14-23-15-13-18)24-26-20(25)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H,6,11H2/b24-21-
InChIKeyILWSJAUQUWRADF-FLFQWRMESA-N
MW364.83 g/mol
LogP4.66
Rot. Bonds6

About [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate

[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate (PubChem CID 43915241) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate.

Molecular Properties

Compound Name[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate
PubChem CID43915241
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)O/N=C(\c1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O2/c22-19-9-7-17(8-10-19)21(18-12-14-23-15-13-18)24-26-20(25)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H,6,11H2/b24-21-
InChIKeyILWSJAUQUWRADF-FLFQWRMESA-N
XLogP4.66
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate 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

(benzhydrylideneamino) 3-phenylpropanoate
CID 91344070
[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate
CID 71948520
[(Z)-[amino(pyridin-3-yl)methylidene]amino] 3-phenylpropanoate
CID 5348619
[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
CID 3506400
(1,1,3,3-tetrachloropropan-2-ylideneamino) 3-phenylpropanoate
CID 88682978
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 3-phenylpropanoate
CID 5023536
2-(pyridine-4-carbonylamino)ethyl 3-(3-chlorophenyl)propanoate
CID 52708800
[[amino-(3-methylphenyl)methylidene]amino] 3-phenylpropanoate
CID 2888204
[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate
CID 3645854
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate?
The IUPAC name of [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate (CID 43915241) is [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate.
What is the SMILES notation for [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate?
The canonical SMILES for [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate is O=C(CCc1ccccc1)O/N=C(\c1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate?
The InChIKey is ILWSJAUQUWRADF-FLFQWRMESA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-19-9-7-17(8-10-19)21(18-12-14-23-15-13-18)24-26-20(25)11-6-16-4-2-1-3-5-16/h1-5,7-10,12-15H,6,11H2/b24-21-.
What are the key properties of [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate?
[(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate has a molecular weight of 364.83 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] 3-phenylpropanoate is sourced from PubChem (CID 43915241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).