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Chemical ID: 6875596
Chemical ID:
6875596
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-[(3,5-dichlorophenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C22H17Cl3N2O3/c1-13-19(25)3-2-4-20(13)27-22(29)14-5-7-18(8-6-14)30-12-21(28)26-17-10-15(23)9-16(24)11-17/h2-11H,12H2,1H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,13,17,14,16,26,24,28,19,2,12,25,27,23,15,7,3,20,10,30,29,8,22,9,21,11,18/E:(5,6)(7,8)(10,11)(15,16)(23,24)/rA:30nCCCCCCCClNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17Cl3N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.374 |
Area: | 695.948 |
Solvation: | -5.02469 |
Coulombic: | -50.8358 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 463.74 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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