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Chemical ID: 4359728
Chemical ID:
4359728
Name [?]:
3-chloro-N-(3-chloro-2-methyl-phenyl)-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C16H15Cl2NO2/c1-3-21-15-8-7-11(9-13(15)18)16(20)19-14-6-4-5-12(17)10(14)2/h4-9H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,16,17,15,6,5,8,19,7,18,9,14,4,11,21,10,13,12,3/rA:21nCCOCCCCCCClCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0562 |
Area: | 522.112 |
Solvation: | -2.99662 |
Coulombic: | -30.4616 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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