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

C15H15Cl2NO — CID 895970

IUPAC3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)C=Cc1ccc(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
InChIKeyJAASDZSPYXYETA-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.21
Rot. Bonds6

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

3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 895970) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID895970
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)C=Cc1ccc(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
InChIKeyJAASDZSPYXYETA-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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Related Compounds

2-[3-(3,4-dichlorophenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79263049
3-(4-tert-butylphenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 3616986
(E)-3-(2-chlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 879942
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61008261
3-(3,4-dichlorophenyl)-N-prop-2-enylprop-2-enamide
CID 2933752
(E)-N-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-N-ethylprop-2-enamide
CID 134118071
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
(E)-3-[4-(methanesulfonamido)phenyl]-N,N-bis(prop-2-enyl)prop-2-enamide
CID 31245132
sodium 3-(3,4-dichlorophenyl)prop-2-enoate
CID 69303958
methyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76909923
ethyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76929626
3-[cyclopropyl-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 60845085

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 895970) is 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)C=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is JAASDZSPYXYETA-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)14(17)11-12/h3-8,11H,1-2,9-10H2.
What are the key properties of 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
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 3-(3,4-dichlorophenyl)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 895970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).