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Chemical ID: 5863105
Chemical ID:
5863105
Name [?]:
N-(2,4-dichlorophenyl)-4-ethoxy-3-methoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1OC)C(=O)Nc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H15Cl2NO3/c1-3-22-14-7-4-10(8-15(14)21-2)16(20)19-13-6-5-11(17)9-12(13)18/h4-9H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,17,16,5,8,19,7,18,20,15,4,9,12,22,21,14,13,10,3/rA:22nCCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69778 |
Area: | 541.522 |
Solvation: | -4.84026 |
Coulombic: | -36.705 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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