(2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide

C13H13ClN2O — CID 46838953

IUPAC(2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C13H13ClN2O/c1-2-3-4-9-13(17)16-15-10-11-7-5-6-8-12(11)14/h2-10H,1H3,(H,16,17)/b3-2+,9-4+,15-10+
InChIKeyLSXULFWOFSHQKI-VXLVUPDRSA-N
MW248.71 g/mol
LogP2.92
Rot. Bonds4

About (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide

(2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide (PubChem CID 46838953) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide
PubChem CID46838953
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C13H13ClN2O/c1-2-3-4-9-13(17)16-15-10-11-7-5-6-8-12(11)14/h2-10H,1H3,(H,16,17)/b3-2+,9-4+,15-10+
InChIKeyLSXULFWOFSHQKI-VXLVUPDRSA-N
XLogP2.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide (CID 46838953) is (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide is C/C=C/C=C/C(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide?
The InChIKey is LSXULFWOFSHQKI-VXLVUPDRSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-2-3-4-9-13(17)16-15-10-11-7-5-6-8-12(11)14/h2-10H,1H3,(H,16,17)/b3-2+,9-4+,15-10+.
What are the key properties of (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide?
(2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide has a molecular weight of 248.71 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(E)-(2-chlorophenyl)methylideneamino]hexa-2,4-dienamide is sourced from PubChem (CID 46838953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).