Chemical ID: 7061451

CC(C)(C(=O)NN=Cc1cccc(c1)Cl)Oc2ccc(cc2)Cl
Chemical ID:
7061451
Name [?]:
2-(4-chlorophenoxy)-N-[(3-chlorophenyl)methyleneamino]-2-methyl-propanamide
SMILES [?]:
CC(C)(C(=O)NN=Cc1cccc(c1)Cl)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H16Cl2N2O2/c1-17(2,23-15-8-6-13(18)7-9-15)16(22)21-20-11-12-4-3-5-14(19)10-12/h3-11H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,19,21,18,22,14,8,9,20,13,17,4,2,23,15,7,6,5,16/E:(1,2)(6,7)(8,9)/rA:23nCCCCONNCCCCCCCClOCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;w7;s8;s9;d10;s11;d12;d9s13;s13;s2;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16Cl2N2O2
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.38561
Area:567.905
Solvation:-4.81202
Coulombic:-28.8876
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:351.227
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.56
LogP (Chemaxon):4.79

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