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Chemical ID: 6943356
Chemical ID:
6943356
Name [?]:
4-benzyloxy-N-(5-chloro-2-methyl-phenyl)-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccc(cc2)OCc3ccccc3)Cl
InChi [?]:
InChI=1/C21H18ClNO2/c1-15-7-10-18(22)13-20(15)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:1,22,21,23,20,24,3,12,16,4,13,15,6,18,2,19,11,5,14,7,9,25,8,10,17/E:(3,4)(5,6)(8,9)(11,12)/rA:25nCCCCCCCNCOCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;d20;s21;d22;d19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18ClNO2 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2046 |
Area: | 581.117 |
Solvation: | -3.32327 |
Coulombic: | -32.1423 |
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): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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