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Chemical ID: 7061451
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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