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Chemical ID: 7265662
Chemical ID:
7265662
Name [?]:
N-(2-chloro-4-methyl-phenyl)-2-(2-methoxy-4-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OC)OCC(=O)Nc2ccc(cc2Cl)C
InChi [?]:
InChI=1/C17H18ClNO3/c1-11-4-6-14(13(18)8-11)19-17(20)10-22-15-7-5-12(2)9-16(15)21-3/h4-9H,10H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:22,1,9,17,3,16,4,19,7,11,18,2,20,15,5,6,12,21,14,13,8,10/rA:22nCCCCCCCOCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClNO3 |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40493 |
Area: | 532.443 |
Solvation: | -5.90613 |
Coulombic: | -35.8375 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.782 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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