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Chemical ID: 5649618
Chemical ID:
5649618
Name [?]:
4-benzyloxy-N-(3,4-dichlorophenyl)-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C20H15Cl2NO2/c21-18-11-8-16(12-19(18)22)23-20(24)15-6-9-17(10-7-15)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,13,19,10,14,20,23,7,4,12,18,9,21,22,15,25,24,17,16,8/E:(2,3)(4,5)(6,7)(9,10)/rA:25nCCCCCCCOCCCCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15Cl2NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3883 |
Area: | 591.806 |
Solvation: | -3.40681 |
Coulombic: | -32.1607 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.86 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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