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Chemical ID: 7500798
Chemical ID:
7500798
Name [?]:
N-(3-chlorophenyl)-2-(2-phenoxyethoxy)benzamide
SMILES [?]:
c1ccc(cc1)OCCOc2ccccc2C(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C21H18ClNO3/c22-16-7-6-8-17(15-16)23-21(24)19-11-4-5-12-20(19)26-14-13-25-18-9-2-1-3-10-18/h1-12,15H,13-14H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,13,22,23,21,3,5,15,12,8,9,25,24,20,4,16,11,17,26,19,18,7,10/E:(2,3)(9,10)/rA:26nCCCCCCOCCOCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18ClNO3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02707 |
Area: | 597.894 |
Solvation: | -5.92027 |
Coulombic: | -37.3611 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.825 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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