(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide

C21H15Cl2NO — CID 2343564

IUPAC(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15Cl2NO/c22-17-13-11-16(20(23)15-17)12-14-21(25)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b14-12+
InChIKeyYWUQWEUOTHMAQD-WYMLVPIESA-N
MW368.26 g/mol
LogP6.37
Rot. Bonds4

About (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide (PubChem CID 2343564) has the molecular formula C21H15Cl2NO and a molecular weight of 368.26 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide
PubChem CID2343564
Molecular FormulaC21H15Cl2NO
Molecular Weight368.26 g/mol
Exact Mass367.05
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15Cl2NO/c22-17-13-11-16(20(23)15-17)12-14-21(25)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b14-12+
InChIKeyYWUQWEUOTHMAQD-WYMLVPIESA-N
XLogP6.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.26
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide (CID 2343564) is (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide?
The InChIKey is YWUQWEUOTHMAQD-WYMLVPIESA-N. The full InChI is InChI=1S/C21H15Cl2NO/c22-17-13-11-16(20(23)15-17)12-14-21(25)24(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H/b14-12+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide has a molecular weight of 368.26 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide is sourced from PubChem (CID 2343564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).