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Chemical ID: 5532169
Chemical ID:
5532169
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C16H16ClNO3/c1-11-4-3-5-13(8-11)21-10-16(19)18-12-6-7-15(20-2)14(17)9-12/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,4,3,5,14,15,7,18,9,2,13,6,17,16,10,19,12,11,20,8/rA:21nCCCCCCCOCCONCCCCCCClOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.28551 |
Area: | 511.908 |
Solvation: | -5.51218 |
Coulombic: | -35.5317 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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