(2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide

C23H21ClN2O2 — CID 143726570

IUPAC(2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide
SMILESC=C/C=C(\C(=C)Cl)C(=O)N/C(OCc1ccccc1)=C(/N=C)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-4-11-20(17(2)24)22(27)26-23(28-16-18-12-7-5-8-13-18)21(25-3)19-14-9-6-10-15-19/h4-15H,1-3,16H2,(H,26,27)/b20-11+,23-21-
InChIKeyUGJLPMPNCWDRGM-OGVZLKHASA-N
MW392.89 g/mol
LogP5.21
Rot. Bonds9

About (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide

(2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide (PubChem CID 143726570) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide
PubChem CID143726570
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name(2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide
SMILESC=C/C=C(\C(=C)Cl)C(=O)N/C(OCc1ccccc1)=C(/N=C)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-4-11-20(17(2)24)22(27)26-23(28-16-18-12-7-5-8-13-18)21(25-3)19-14-9-6-10-15-19/h4-15H,1-3,16H2,(H,26,27)/b20-11+,23-21-
InChIKeyUGJLPMPNCWDRGM-OGVZLKHASA-N
XLogP5.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide?
The IUPAC name of (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide (CID 143726570) is (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide.
What is the SMILES notation for (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide?
The canonical SMILES for (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide is C=C/C=C(\C(=C)Cl)C(=O)N/C(OCc1ccccc1)=C(/N=C)c1ccccc1.
What is the InChIKey of (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide?
The InChIKey is UGJLPMPNCWDRGM-OGVZLKHASA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-4-11-20(17(2)24)22(27)26-23(28-16-18-12-7-5-8-13-18)21(25-3)19-14-9-6-10-15-19/h4-15H,1-3,16H2,(H,26,27)/b20-11+,23-21-.
What are the key properties of (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide?
(2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide has a molecular weight of 392.89 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-chloroethenyl)-N-[(Z)-2-(methylideneamino)-2-phenyl-1-phenylmethoxyethenyl]penta-2,4-dienamide is sourced from PubChem (CID 143726570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).