(E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide

C16H19ClN2O2 — CID 144534622

IUPAC(E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide
SMILESC/C=C\C(=C/CC)C(=O)N/N=C(\C)c1cc(Cl)ccc1O
InChIInChI=1S/C16H19ClN2O2/c1-4-6-12(7-5-2)16(21)19-18-11(3)14-10-13(17)8-9-15(14)20/h4,6-10,20H,5H2,1-3H3,(H,19,21)/b6-4-,12-7+,18-11+
InChIKeyJZGLKZVQSNFSJX-ASJPAINQSA-N
MW306.79 g/mol
LogP3.80
Rot. Bonds5

About (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide

(E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide (PubChem CID 144534622) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide
PubChem CID144534622
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide
SMILESC/C=C\C(=C/CC)C(=O)N/N=C(\C)c1cc(Cl)ccc1O
InChIInChI=1S/C16H19ClN2O2/c1-4-6-12(7-5-2)16(21)19-18-11(3)14-10-13(17)8-9-15(14)20/h4,6-10,20H,5H2,1-3H3,(H,19,21)/b6-4-,12-7+,18-11+
InChIKeyJZGLKZVQSNFSJX-ASJPAINQSA-N
XLogP3.80
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide?
The IUPAC name of (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide (CID 144534622) is (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide.
What is the SMILES notation for (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide?
The canonical SMILES for (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide is C/C=C\C(=C/CC)C(=O)N/N=C(\C)c1cc(Cl)ccc1O.
What is the InChIKey of (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide?
The InChIKey is JZGLKZVQSNFSJX-ASJPAINQSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-6-12(7-5-2)16(21)19-18-11(3)14-10-13(17)8-9-15(14)20/h4,6-10,20H,5H2,1-3H3,(H,19,21)/b6-4-,12-7+,18-11+.
What are the key properties of (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide?
(E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide has a molecular weight of 306.79 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-2-[(Z)-prop-1-enyl]pent-2-enamide is sourced from PubChem (CID 144534622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).