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

C15H15Cl2NO — CID 895971

IUPAC(E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)14(17)11-12/h3-8,11H,1-2,9-10H2/b8-6+
InChIKeyJAASDZSPYXYETA-SOFGYWHQSA-N
MW296.20 g/mol
LogP4.21
Rot. Bonds6

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

(E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 895971) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID895971
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)14(17)11-12/h3-8,11H,1-2,9-10H2/b8-6+
InChIKeyJAASDZSPYXYETA-SOFGYWHQSA-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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Related Compounds

CID 898470
CID 898470
CID 692385
CID 692385
CID 5388807
CID 5388807
CID 809660
CID 809660
CID 2053897
CID 2053897
CID 5467985
CID 5467985
CID 6063194
CID 6063194
CID 6025708
CID 6025708
CID 6027881
CID 6027881
CID 6104407
CID 6104407
CID 71534926
CID 71534926
CID 118679067
CID 118679067

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 895971) is (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is JAASDZSPYXYETA-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-3-9-18(10-4-2)15(19)8-6-12-5-7-13(16)14(17)11-12/h3-8,11H,1-2,9-10H2/b8-6+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
(E)-3-(3,4-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 (E)-3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 895971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).