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Chemical ID: 4195670
Chemical ID:
4195670
Name [?]:
N-(4-benzamidophenyl)-3,5-dichloro-4-methoxy-benzamide
SMILES [?]:
COc1c(cc(cc1Cl)C(=O)Nc2ccc(cc2)NC(=O)c3ccccc3)Cl
InChi [?]:
InChI=1/C21H16Cl2N2O3/c1-28-19-17(22)11-14(12-18(19)23)21(27)25-16-9-7-15(8-10-16)24-20(26)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,25,24,26,23,27,15,17,14,18,5,7,22,6,16,13,4,8,3,20,10,28,9,19,12,21,11,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(17,18)(22,23)/rA:28nCOCCCCCCClCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16Cl2N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4431 |
Area: | 631.8 |
Solvation: | -4.35185 |
Coulombic: | -51.7033 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 415.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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