(2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide

C17H14BrNO — CID 56640992

IUPAC(2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C17H14BrNO/c18-15-10-6-11-16(13-15)19-17(20)12-5-4-9-14-7-2-1-3-8-14/h1-13H,(H,19,20)/b9-4+,12-5+
InChIKeyCEUCMTQBWWGOGK-XFRMRLMGSA-N
MW328.21 g/mol
LogP4.66
Rot. Bonds4

About (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide

(2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide (PubChem CID 56640992) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide
PubChem CID56640992
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide
SMILESO=C(/C=C/C=C/c1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C17H14BrNO/c18-15-10-6-11-16(13-15)19-17(20)12-5-4-9-14-7-2-1-3-8-14/h1-13H,(H,19,20)/b9-4+,12-5+
InChIKeyCEUCMTQBWWGOGK-XFRMRLMGSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide (CID 56640992) is (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide is O=C(/C=C/C=C/c1ccccc1)Nc1cccc(Br)c1.
What is the InChIKey of (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide?
The InChIKey is CEUCMTQBWWGOGK-XFRMRLMGSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-15-10-6-11-16(13-15)19-17(20)12-5-4-9-14-7-2-1-3-8-14/h1-13H,(H,19,20)/b9-4+,12-5+.
What are the key properties of (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide?
(2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide has a molecular weight of 328.21 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(3-bromophenyl)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 56640992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).