4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide

C18H15Cl2NO2 — CID 54352026

IUPAC4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide
SMILESCc1cc(C)cc(NC(=O)C=CC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H15Cl2NO2/c1-11-7-12(2)9-14(8-11)21-18(23)6-5-17(22)15-4-3-13(19)10-16(15)20/h3-10H,1-2H3,(H,21,23)
InChIKeyUGLDKRBJMPSGJL-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.99
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide

4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide (PubChem CID 54352026) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide
PubChem CID54352026
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide
SMILESCc1cc(C)cc(NC(=O)C=CC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H15Cl2NO2/c1-11-7-12(2)9-14(8-11)21-18(23)6-5-17(22)15-4-3-13(19)10-16(15)20/h3-10H,1-2H3,(H,21,23)
InChIKeyUGLDKRBJMPSGJL-UHFFFAOYSA-N
XLogP4.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(3,5-dimethylphenyl)benzamide
CID 965625
N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
4-chloro-N-(3,5-dimethylphenyl)-2-iodobenzamide
CID 38898615
3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 54031031
sodium (E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-en-1-olate
CID 23701005
1-(2,4-dichlorophenyl)-3-(2-hydroxy-5-methylanilino)prop-2-en-1-one
CID 889011
(E)-1-(2,4-dichlorophenyl)-3-(2,6-dimethylanilino)prop-2-en-1-one
CID 2244087
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 3633437
(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 60869996
(E)-1-(2,4-dichlorophenyl)-3-(4-iodoanilino)prop-2-en-1-one
CID 126195891

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide (CID 54352026) is 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide is Cc1cc(C)cc(NC(=O)C=CC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide?
The InChIKey is UGLDKRBJMPSGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-11-7-12(2)9-14(8-11)21-18(23)6-5-17(22)15-4-3-13(19)10-16(15)20/h3-10H,1-2H3,(H,21,23).
What are the key properties of 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide?
4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide has a molecular weight of 348.23 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)-4-oxobut-2-enamide is sourced from PubChem (CID 54352026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).