Chemical ID: 4347830

COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2Cl)I)Cl
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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Descriptor Annotations

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