Chemical ID: 4156131

CCOc1ccc(cc1OC)C=CC(=O)Nc2ccc(cc2C)Cl
Chemical ID:
4156131
Name [?]:
N-(4-chloro-2-methyl-phenyl)-3-(4-ethoxy-3-methoxy-phenyl)-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1OC)C=CC(=O)Nc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C19H20ClNO3/c1-4-24-17-9-5-14(12-18(17)23-3)6-10-19(22)21-16-8-7-15(20)11-13(16)2/h5-12H,4H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,11,2,6,12,19,18,5,13,21,8,22,7,20,17,4,9,14,24,16,15,10,3/rA:24nCCOCCCCCCOCCCCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClNO3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.72103
Area:563.512
Solvation:-5.36676
Coulombic:-36.3296
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:345.82
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.1
LogP (Chemaxon):3.87

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