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

C17H15ClN2O2 — CID 126063270

IUPAC(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N/N=C\c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-16-8-5-13(6-9-16)7-10-17(21)20-19-12-14-3-2-4-15(18)11-14/h2-12H,1H3,(H,20,21)/b10-7+,19-12-
InChIKeyOWUXDBWKZKVCIU-HEAUIMFQSA-N
MW314.77 g/mol
LogP3.51
Rot. Bonds5

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

(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 126063270) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID126063270
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N/N=C\c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H15ClN2O2/c1-22-16-8-5-13(6-9-16)7-10-17(21)20-19-12-14-3-2-4-15(18)11-14/h2-12H,1H3,(H,20,21)/b10-7+,19-12-
InChIKeyOWUXDBWKZKVCIU-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'}

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Related Compounds

3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 126067611
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280125
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280148
methyl N-[(3-chlorophenyl)methylideneamino]carbamate
CID 909415
(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 92856946
(2S)-2-(3-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 26972495
methyl 4-[(Z)-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]hydrazinylidene]methyl]benzoate
CID 126070082
(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide
CID 19166546
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide (CID 126063270) is (E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)N/N=C\c2cccc(Cl)c2)cc1.
What is the InChIKey of (E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is OWUXDBWKZKVCIU-HEAUIMFQSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-16-8-5-13(6-9-16)7-10-17(21)20-19-12-14-3-2-4-15(18)11-14/h2-12H,1H3,(H,20,21)/b10-7+,19-12-.
What are the key properties of (E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)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)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 126063270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).