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Chemical ID: 4533753
Chemical ID:
4533753
Name [?]:
3,5-dichloro-N-(4-chlorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NO2/c1-20-13-11(16)6-8(7-12(13)17)14(19)18-10-4-2-9(15)3-5-10/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,5,7,6,16,13,4,8,3,10,19,20,9,12,11,2/E:(2,3)(4,5)(6,7)(11,12)(16,17)/rA:20nCOCCCCCCClCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60008 |
Area: | 508.488 |
Solvation: | -3.11212 |
Coulombic: | -30.2558 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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