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Chemical ID: 4149158
Chemical ID:
4149158
Name [?]:
N-(4-chlorophenyl)-2-(4-phenylphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H16ClNO2/c21-17-8-10-18(11-9-17)22-20(23)14-24-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,20,22,19,23,9,11,14,4,7,21,18,10,15,24,17,16,13/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:24nCCCCCCCCCCCCOCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16ClNO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76862 |
Area: | 563.429 |
Solvation: | -4.3171 |
Coulombic: | -30.8387 |
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): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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