2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide

C10H6Cl2N2O — CID 3936152

IUPAC2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESN#CC(=Cc1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C10H6Cl2N2O/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15)
InChIKeyXLEXVFCXCZKVRX-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.39
Rot. Bonds2

About 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide

2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 3936152) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID3936152
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESN#CC(=Cc1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C10H6Cl2N2O/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15)
InChIKeyXLEXVFCXCZKVRX-UHFFFAOYSA-N
XLogP2.39
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide (CID 3936152) is 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide is N#CC(=Cc1ccc(Cl)cc1Cl)C(N)=O.
What is the InChIKey of 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is XLEXVFCXCZKVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H2,14,15).
What are the key properties of 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide?
2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 241.08 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 3936152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).