(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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Related Compounds

N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
5-chloro-1-[(2,6-dichlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 1485975
2,4-Dichlorobenzanilide
CID 347066
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)quinolin-2-one
CID 44453448
N-(3,5-dichlorophenyl)-3-phenylacrylamide
CID 702486
(2E)-2-cyano-3-(2,4-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 685351
(2E)-3-(4-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692403
(2E)-N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 726022
(E)-3-(2,4-dichlorophenyl)-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 2678425
1-(2,6-Dichlorophenyl)-5-phenylquinolin-2-one
CID 44453342
(1E,4E)-1-(2,6-dichlorophenyl)-5-[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
CID 52937027
(2E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919

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).