(2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide

C11H10ClNO2 — CID 11651487

IUPAC(2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccc(Cl)cc1)NO
InChIInChI=1S/C11H10ClNO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(14)13-15/h1-8,15H,(H,13,14)/b3-1+,4-2+
InChIKeyCMCCBRAFFWTYIH-ZPUQHVIOSA-N
MW223.66 g/mol
LogP2.41
Rot. Bonds3

About (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide

(2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide (PubChem CID 11651487) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide
PubChem CID11651487
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccc(Cl)cc1)NO
InChIInChI=1S/C11H10ClNO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(14)13-15/h1-8,15H,(H,13,14)/b3-1+,4-2+
InChIKeyCMCCBRAFFWTYIH-ZPUQHVIOSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.41
H-Bond Donors ≤ 52
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide (CID 11651487) is (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide is O=C(/C=C/C=C/c1ccc(Cl)cc1)NO.
What is the InChIKey of (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide?
The InChIKey is CMCCBRAFFWTYIH-ZPUQHVIOSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(14)13-15/h1-8,15H,(H,13,14)/b3-1+,4-2+.
What are the key properties of (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide?
(2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide has a molecular weight of 223.66 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-chlorophenyl)-N-hydroxypenta-2,4-dienamide is sourced from PubChem (CID 11651487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).