Chemical ID: 6869854

CCOc1ccc(cc1OC)C=CC(=O)Nc2ccccc2Cl
Chemical ID:
6869854
Name [?]:
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxy-phenyl)-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1OC)C=CC(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C18H18ClNO3/c1-3-23-16-10-8-13(12-17(16)22-2)9-11-18(21)20-15-7-5-4-6-14(15)19/h4-12H,3H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,11,2,20,19,21,18,6,12,5,13,8,7,22,17,4,9,14,23,16,15,10,3/rA:23nCCOCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClNO3
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.27781
Area:537.447
Solvation:-5.15836
Coulombic:-37.1319
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:331.793
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):3.4

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