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Chemical ID: 6466787
Chemical ID:
6466787
Name [?]:
N-(4-acetylphenyl)-3,5-dichloro-4-ethoxy-benzamide
SMILES [?]:
CCOc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)C(=O)C)Cl
InChi [?]:
InChI=1/C17H15Cl2NO3/c1-3-23-16-14(18)8-12(9-15(16)19)17(22)20-13-6-4-11(5-7-13)10(2)21/h4-9H,3H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,2,16,18,15,19,6,8,20,17,7,14,5,9,4,11,23,10,13,21,12,3/E:(4,5)(6,7)(8,9)(14,15)(18,19)/rA:23nCCOCCCCCCClCONCCCCCCCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80067 |
Area: | 557.339 |
Solvation: | -4.13279 |
Coulombic: | -36.9184 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.211 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.41 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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