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Chemical ID: 4346678
Chemical ID:
4346678
Name [?]:
N-[2-[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]aminophenyl]acetamide
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(=O)Nc2ccccc2NC(=O)C
InChi [?]:
InChI=1/C18H19ClN2O3/c1-11-8-14(9-12(2)18(11)19)24-10-17(23)21-16-7-5-4-6-15(16)20-13(3)22/h4-9H,10H2,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,9,24,18,17,19,16,3,5,11,2,6,22,4,20,15,12,7,8,21,14,23,13,10/E:(1,2)(8,9)(11,12)/rA:24nCCCCCCCClCOCCONCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9381 |
Area: | 564.58 |
Solvation: | -5.1764 |
Coulombic: | -47.5631 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 346.808 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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