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Chemical ID: 4396899
Chemical ID:
4396899
Name [?]:
4-benzyloxy-N-(3-chloro-4-methyl-phenyl)-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C21H18ClNO2/c1-15-7-10-18(13-20(15)22)23-21(24)17-8-11-19(12-9-17)25-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,3,13,17,4,14,16,6,19,2,20,12,5,15,7,10,8,9,11,18/E:(3,4)(5,6)(8,9)(11,12)/rA:25nCCCCCCCClNCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18ClNO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1796 |
Area: | 580.964 |
Solvation: | -3.34449 |
Coulombic: | -32.1242 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.826 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.47 |
LogP (Chemaxon): | 5.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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