(E)-3-(2,4-dichlorophenyl)but-2-enamide

C10H9Cl2NO — CID 138683296

IUPAC(E)-3-(2,4-dichlorophenyl)but-2-enamide
SMILESC/C(=C\C(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO/c1-6(4-10(13)14)8-3-2-7(11)5-9(8)12/h2-5H,1H3,(H2,13,14)/b6-4+
InChIKeyKOMZXTHKMQWALD-GQCTYLIASA-N
MW230.09 g/mol
LogP2.88
Rot. Bonds2

About (E)-3-(2,4-dichlorophenyl)but-2-enamide

(E)-3-(2,4-dichlorophenyl)but-2-enamide (PubChem CID 138683296) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)but-2-enamide
PubChem CID138683296
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name(E)-3-(2,4-dichlorophenyl)but-2-enamide
SMILESC/C(=C\C(N)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2NO/c1-6(4-10(13)14)8-3-2-7(11)5-9(8)12/h2-5H,1H3,(H2,13,14)/b6-4+
InChIKeyKOMZXTHKMQWALD-GQCTYLIASA-N
XLogP2.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)but-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)but-2-enamide (CID 138683296) is (E)-3-(2,4-dichlorophenyl)but-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)but-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)but-2-enamide is C/C(=C\C(N)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)but-2-enamide?
The InChIKey is KOMZXTHKMQWALD-GQCTYLIASA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-6(4-10(13)14)8-3-2-7(11)5-9(8)12/h2-5H,1H3,(H2,13,14)/b6-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)but-2-enamide?
(E)-3-(2,4-dichlorophenyl)but-2-enamide has a molecular weight of 230.09 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)but-2-enamide is sourced from PubChem (CID 138683296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).