Chemical ID: 6490356

CC(C(=O)NN=Cc1cc(ccc1Br)OC)Oc2ccc(cc2)Cl
Chemical ID:
6490356
Name [?]:
N-[(2-bromo-5-methoxy-phenyl)methyleneamino]-2-(4-chlorophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1cc(ccc1Br)OC)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16BrClN2O3/c1-11(24-14-5-3-13(19)4-6-14)17(22)21-20-10-12-9-15(23-2)7-8-16(12)18/h3-11H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,20,22,19,23,11,12,9,7,2,8,21,18,10,13,3,14,24,6,5,4,15,17/E:(3,4)(5,6)/rA:24cCCCONNCCCCCCCBrOCOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s10;s15;s2;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrClN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.68421
Area:575.978
Solvation:-5.71525
Coulombic:-34.3193
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:411.677
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.54
LogP (Chemaxon):4.61

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