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Chemical ID: 4708629
Chemical ID:
4708629
Name [?]:
4-benzyloxy-2-chloro-N-[(4-chlorophenyl)methyl]benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(c(c2)Cl)C(=O)NCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H17Cl2NO2/c22-17-8-6-15(7-9-17)13-24-21(25)19-11-10-18(12-20(19)23)26-14-16-4-2-1-3-5-16/h1-12H,13-14H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,25,22,24,10,11,14,19,7,20,4,23,9,12,13,16,26,15,18,17,8/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCOCCCCCCClCONCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s13;s12;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17Cl2NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7934 |
Area: | 619.531 |
Solvation: | -3.69487 |
Coulombic: | -32.7004 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.271 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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