(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide

C17H15ClN2O2 — CID 126067611

IUPAC(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
SMILESCOc1cccc(/C=N\NC(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2O2/c1-22-16-4-2-3-14(11-16)12-19-20-17(21)10-7-13-5-8-15(18)9-6-13/h2-12H,1H3,(H,20,21)/b10-7+,19-12-
InChIKeyCAUUWEMDZUVFME-HEAUIMFQSA-N
MW314.77 g/mol
LogP3.51
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide (PubChem CID 126067611) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
PubChem CID126067611
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
SMILESCOc1cccc(/C=N\NC(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2O2/c1-22-16-4-2-3-14(11-16)12-19-20-17(21)10-7-13-5-8-15(18)9-6-13/h2-12H,1H3,(H,20,21)/b10-7+,19-12-
InChIKeyCAUUWEMDZUVFME-HEAUIMFQSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide 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

3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 126063270
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280125
methyl 4-[(Z)-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]hydrazinylidene]methyl]benzoate
CID 126070082
(2R)-2-(4-chlorophenoxy)-N-[(3-methoxyphenyl)methylideneamino]propanamide
CID 727970
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 92856946
4-[(Z)-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]hydrazinylidene]methyl]benzoic acid
CID 126066826

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide (CID 126067611) is (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide is COc1cccc(/C=N\NC(=O)/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide?
The InChIKey is CAUUWEMDZUVFME-HEAUIMFQSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-16-4-2-3-14(11-16)12-19-20-17(21)10-7-13-5-8-15(18)9-6-13/h2-12H,1H3,(H,20,21)/b10-7+,19-12-.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide has a molecular weight of 314.77 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide is sourced from PubChem (CID 126067611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).