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Chemical ID: 7526719
Chemical ID:
7526719
Name [?]:
N-[4-chloro-2-(2-phenoxyacetyl)amino-phenyl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2ccc(cc2NC(=O)COc3ccccc3)Cl
InChi [?]:
InChI=1/C22H19ClN2O4/c23-16-11-12-19(24-21(26)14-28-17-7-3-1-4-8-17)20(13-16)25-22(27)15-29-18-9-5-2-6-10-18/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,14,13,16,8,21,15,4,23,12,17,9,19,29,11,18,10,20,7,22/E:(3,4)(5,6)(7,8)(9,10)/rA:29nCCCCCCOCCONCCCCCCNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19ClN2O4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.11637 |
Area: | 655.352 |
Solvation: | -7.26743 |
Coulombic: | -57.1012 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.95 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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