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Chemical ID: 7298055
Chemical ID:
7298055
Name [?]:
2-(3-acetylphenoxy)-N-(3-chloro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COc2cccc(c2)C(=O)C
InChi [?]:
InChI=1/C17H16ClNO3/c1-11-15(18)7-4-8-16(11)19-17(21)10-22-14-6-3-5-13(9-14)12(2)20/h3-9H,10H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,16,5,17,15,6,4,19,12,2,20,18,14,7,3,10,8,9,21,11,13/rA:22nCCCCCCCClNCOCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClNO3 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96695 |
Area: | 527.269 |
Solvation: | -5.21477 |
Coulombic: | -35.675 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 317.767 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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