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Chemical ID: 6938057
Chemical ID:
6938057
Name [?]:
3-chloro-N-[3-chloro-4-(3-chlorobenzoyl)amino-phenyl]-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2ccc(c(c2)Cl)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C20H13Cl3N2O2/c21-14-5-1-3-12(9-14)19(26)24-16-7-8-18(17(23)11-16)25-20(27)13-4-2-6-15(22)10-13/h1-11H,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,23,2,22,6,24,12,13,4,26,16,3,21,5,25,11,15,14,8,19,7,27,17,10,18,9,20/rA:27nCCCCCCClCONCCCCCCClNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s14;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13Cl3N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1711 |
Area: | 634.727 |
Solvation: | -2.69705 |
Coulombic: | -45.8019 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 419.688 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.41 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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