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Chemical ID: 4210541
Chemical ID:
4210541
Name [?]:
3-chloro-N-(5-chloro-2,4-dimethoxy-phenyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)C(=O)Nc2cc(c(cc2OC)OC)Cl
InChi [?]:
InChI=1/C16H15Cl2NO3/c1-9-4-5-10(6-11(9)17)16(20)19-13-7-12(18)14(21-2)8-15(13)22-3/h4-8H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,19,3,4,6,13,16,2,5,7,14,12,15,17,9,8,22,11,10,20,18/rA:22nCCCCCCCClCONCCCCCCOCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15Cl2NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.0844 |
Area: | 528.72 |
Solvation: | -4.1336 |
Coulombic: | -37.0172 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.201 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.29 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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