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Chemical ID: 4453412
Chemical ID:
4453412
Name [?]:
2,6-dichloro-N-(3,5-dimethoxyphenyl)-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)NC(=O)c2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO3/c1-20-10-6-9(7-11(8-10)21-2)18-15(19)14-12(16)4-3-5-13(14)17/h3-8H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,17,16,18,4,6,8,5,3,7,15,19,14,12,21,20,11,13,2,9/E:(1,2)(4,5)(6,7)(10,11)(12,13)(16,17)(20,21)/rA:21nCOCCCCCCOCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13Cl2NO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.9196 |
Area: | 500.536 |
Solvation: | -4.5938 |
Coulombic: | -35.7337 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 326.174 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.07 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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