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Chemical ID: 4347830
Chemical ID:
4347830
Name [?]:
3,5-dichloro-N-(2-chloro-4-iodo-phenyl)-4-methoxy-benzamide
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2Cl)I)Cl
InChi [?]:
InChI=1/C14H9Cl3INO2/c1-21-13-10(16)4-7(5-11(13)17)14(20)19-12-3-2-8(18)6-9(12)15/h2-6H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,14,5,7,17,6,16,18,4,8,13,3,10,19,21,9,20,12,11,2/E:(4,5)(10,11)(16,17)/rA:21nCOCCCCCCClCONCCCCCCClICl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9Cl3INO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9089 |
Area: | 549.297 |
Solvation: | -2.82353 |
Coulombic: | -30.494 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 456.489 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.84 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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