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Chemical ID: 7467339
Chemical ID:
7467339
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)Nc2ccc(c(c2)Cl)C
InChi [?]:
InChI=1/C16H16ClNO2/c1-11-4-3-5-14(8-11)20-10-16(19)18-13-7-6-12(2)15(17)9-13/h3-9H,10H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,4,3,5,15,14,7,18,9,2,16,13,6,17,10,19,12,11,8/rA:20nCCCCCCCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43847 |
Area: | 495.415 |
Solvation: | -3.94691 |
Coulombic: | -29.2207 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 289.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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