3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide

C15H15Cl2NO — CID 3626724

IUPAC3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)C=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)11-14(12)17/h3-8,11H,1-2,9-10H2
InChIKeyLIHNQJFDEFBPER-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.21
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide

3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 3626724) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID3626724
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)C=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)11-14(12)17/h3-8,11H,1-2,9-10H2
InChIKeyLIHNQJFDEFBPER-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 3626724) is 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)C=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is LIHNQJFDEFBPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)11-14(12)17/h3-8,11H,1-2,9-10H2.
What are the key properties of 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 296.20 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 3626724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).