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Chemical ID: 6944331
Chemical ID:
6944331
Name [?]:
2,3-dichloro-N-[4-(3-chlorobenzoyl)aminophenyl]-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2ccc(cc2)NC(=O)c3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C20H13Cl3N2O2/c21-13-4-1-3-12(11-13)19(26)24-14-7-9-15(10-8-14)25-20(27)16-5-2-6-17(22)18(16)23/h1-11H,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,21,23,12,16,13,15,4,3,5,11,14,20,24,25,8,18,7,27,26,10,17,9,19/E:(7,8)(9,10)/rA:27nCCCCCCClCONCCCCCCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13Cl3N2O2 |
All Atoms: | 40 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1122 |
Area: | 621.765 |
Solvation: | -3.43191 |
Coulombic: | -44.4997 |
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): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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