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Chemical ID: 6839684
Chemical ID:
6839684
Name [?]:
N-(2-chlorophenyl)-4-[(2,3-dichlorophenyl)carbamoylmethoxy]benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc(c3Cl)Cl)Cl
InChi [?]:
InChI=1/C21H15Cl3N2O3/c22-15-4-1-2-6-17(15)26-21(28)13-8-10-14(11-9-13)29-12-19(27)25-18-7-3-5-16(23)20(18)24/h1-11H,12H2,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:2,1,23,3,24,6,22,11,15,12,14,17,10,13,4,25,5,21,18,26,8,29,28,27,20,7,19,9,16/E:(8,9)(10,11)/rA:29nCCCCCCNCOCCCCCCOCCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15Cl3N2O3 |
All Atoms: | 44 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0656 |
Area: | 666.683 |
Solvation: | -4.60149 |
Coulombic: | -52.4041 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 449.714 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.51 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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