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Chemical ID: 7266269
Chemical ID:
7266269
Name [?]:
2-(4-acetamidophenoxy)-N-(5-chloro-2-methoxy-phenyl)-propanamide
SMILES [?]:
CC(C(=O)Nc1cc(ccc1OC)Cl)Oc2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C18H19ClN2O4/c1-11(25-15-7-5-14(6-8-15)20-12(2)22)18(23)21-16-10-13(19)4-9-17(16)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,13,9,18,20,17,21,10,7,2,23,8,19,16,6,11,3,14,22,5,24,4,12,15/E:(5,6)(7,8)/rA:25cCCCONCCCCCCOCClOCCCCCCNCOC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s8;s2;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O4 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.7908 |
Area: | 586.153 |
Solvation: | -5.86304 |
Coulombic: | -55.1885 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 362.807 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.99 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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