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Chemical ID: 7491619
Chemical ID:
7491619
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-2-(4-methoxyphenoxy)-acetamide
SMILES [?]:
COc1ccc(cc1)OCC(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C16H16ClNO4/c1-20-12-4-6-13(7-5-12)22-10-16(19)18-11-3-8-15(21-2)14(17)9-11/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,15,4,8,5,7,16,19,10,14,3,6,18,17,11,20,13,12,2,21,9/E:(4,5)(6,7)/rA:22nCOCCCCCCOCCONCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.44353 |
Area: | 528.95 |
Solvation: | -6.78021 |
Coulombic: | -41.7462 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.755 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.13 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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