Chemical ID: 6156873

c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3cc(c(cc3Cl)Cl)Cl
Chemical ID:
6156873
Name [?]:
2,3-diphenyl-N-(2,4,5-trichlorophenyl)-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3cc(c(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C21H14Cl3NO/c22-17-12-19(24)20(13-18(17)23)25-21(26)16(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-13H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,3,5,10,14,7,22,19,4,9,8,21,20,23,18,15,25,26,24,17,16/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCCCCCCCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl3NO
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.9374
Area:585.314
Solvation:-1.69541
Coulombic:-26.9365
Bond Count [?]
All:28
Single:17
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:402.7
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.99
LogP (Chemaxon):6.09

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