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Chemical ID: 7504906
Chemical ID:
7504906
Name [?]:
4-benzyloxy-N-(3-chlorophenyl)-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H16ClNO2/c21-17-7-4-8-18(13-17)22-20(23)16-9-11-19(12-10-16)24-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,3,5,21,19,11,13,10,14,23,7,4,12,22,18,9,15,24,17,16,8/E:(2,3)(5,6)(9,10)(11,12)/rA:24nCCCCCCCOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16ClNO2 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7399 |
Area: | 563.824 |
Solvation: | -3.35566 |
Coulombic: | -32.1824 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.799 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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