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Chemical ID: 6943343
Chemical ID:
6943343
Name [?]:
3,5-dichloro-N-(5-chloro-2-methoxy-phenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1NC(=O)c2cc(c(c(c2)Cl)OC)Cl)Cl
InChi [?]:
InChI=1/C15H12Cl3NO3/c1-21-13-4-3-9(16)7-12(13)19-15(20)8-5-10(17)14(22-2)11(18)6-8/h3-7H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,5,4,13,17,7,12,6,14,16,8,3,15,10,22,21,18,9,11,2,19/E:(5,6)(10,11)(17,18)/rA:22nCOCCCCCCNCOCCCCCCClOCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s15;s19;s14;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl3NO3 |
All Atoms: | 34 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58311 |
Area: | 542.054 |
Solvation: | -3.96824 |
Coulombic: | -37.5654 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.619 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.69 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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