(E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide

C12H11Cl2NO2 — CID 141465763

IUPAC(E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide
SMILESCN(C)C(=O)/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO2/c1-15(2)12(17)6-5-11(16)9-4-3-8(13)7-10(9)14/h3-7H,1-2H3/b6-5+
InChIKeyLXMZJHXTQVFZDT-AATRIKPKSA-N
MW272.13 g/mol
LogP2.82
Rot. Bonds3

About (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide

(E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide (PubChem CID 141465763) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide
PubChem CID141465763
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name(E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide
SMILESCN(C)C(=O)/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2NO2/c1-15(2)12(17)6-5-11(16)9-4-3-8(13)7-10(9)14/h3-7H,1-2H3/b6-5+
InChIKeyLXMZJHXTQVFZDT-AATRIKPKSA-N
XLogP2.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide?
The IUPAC name of (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide (CID 141465763) is (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide.
What is the SMILES notation for (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide?
The canonical SMILES for (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide is CN(C)C(=O)/C=C/C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide?
The InChIKey is LXMZJHXTQVFZDT-AATRIKPKSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c1-15(2)12(17)6-5-11(16)9-4-3-8(13)7-10(9)14/h3-7H,1-2H3/b6-5+.
What are the key properties of (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide?
(E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide has a molecular weight of 272.13 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,4-dichlorophenyl)-N,N-dimethyl-4-oxobut-2-enamide is sourced from PubChem (CID 141465763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).