Chemical ID: 6869863

CCOc1ccc(cc1OC)C=CC(=O)Nc2cccc(c2C)Cl
Chemical ID:
6869863
Name [?]:
N-(3-chloro-2-methyl-phenyl)-3-(4-ethoxy-3-methoxy-phenyl)-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1OC)C=CC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C19H20ClNO3/c1-4-24-17-10-8-14(12-18(17)23-3)9-11-19(22)21-16-7-5-6-15(20)13(16)2/h5-12H,4H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,11,2,19,20,18,6,12,5,13,8,22,7,21,17,4,9,14,24,16,15,10,3/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;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClNO3
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.59585
Area:556.439
Solvation:-5.31511
Coulombic:-36.5042
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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