(2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide

C15H17Cl2NO — CID 5376466

IUPAC(2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide
SMILESCC(C)N(C)C(=O)/C=C/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2NO/c1-11(2)18(3)15(19)7-5-4-6-12-8-9-13(16)14(17)10-12/h4-11H,1-3H3/b6-4+,7-5+
InChIKeyRFKNZSRHARYMQY-YDFGWWAZSA-N
MW298.21 g/mol
LogP4.43
Rot. Bonds4

About (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide

(2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide (PubChem CID 5376466) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide
PubChem CID5376466
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name(2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide
SMILESCC(C)N(C)C(=O)/C=C/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2NO/c1-11(2)18(3)15(19)7-5-4-6-12-8-9-13(16)14(17)10-12/h4-11H,1-3H3/b6-4+,7-5+
InChIKeyRFKNZSRHARYMQY-YDFGWWAZSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.43
H-Bond Donors ≤ 50
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)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide (CID 5376466) is (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide is CC(C)N(C)C(=O)/C=C/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide?
The InChIKey is RFKNZSRHARYMQY-YDFGWWAZSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-11(2)18(3)15(19)7-5-4-6-12-8-9-13(16)14(17)10-12/h4-11H,1-3H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide?
(2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide has a molecular weight of 298.21 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(3,4-dichlorophenyl)-N-methyl-N-propan-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 5376466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).