(E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide

C11H9Cl2NO2 — CID 166631059

IUPAC(E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide
SMILESC=CN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NO2/c1-2-14(16)11(15)6-4-8-3-5-9(12)7-10(8)13/h2-7,16H,1H2/b6-4+
InChIKeyPQCDSEZQFBWHOD-GQCTYLIASA-N
MW258.10 g/mol
LogP3.37
Rot. Bonds3

About (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide (PubChem CID 166631059) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide
PubChem CID166631059
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide
SMILESC=CN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2NO2/c1-2-14(16)11(15)6-4-8-3-5-9(12)7-10(8)13/h2-7,16H,1H2/b6-4+
InChIKeyPQCDSEZQFBWHOD-GQCTYLIASA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide (CID 166631059) is (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide is C=CN(O)C(=O)/C=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide?
The InChIKey is PQCDSEZQFBWHOD-GQCTYLIASA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-2-14(16)11(15)6-4-8-3-5-9(12)7-10(8)13/h2-7,16H,1H2/b6-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide has a molecular weight of 258.10 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-ethenyl-N-hydroxyprop-2-enamide is sourced from PubChem (CID 166631059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).