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Chemical ID: 6884181
Chemical ID:
6884181
Name [?]:
4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]-N-(4-chlorophenyl)-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O3/c1-14-2-7-18(12-20(14)24)25-21(27)13-29-19-10-3-15(4-11-19)22(28)26-17-8-5-16(23)6-9-17/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,16,18,25,27,4,24,28,15,19,6,12,2,17,26,23,5,14,7,10,20,29,8,9,22,11,21,13/E:(3,4)(5,6)(8,9)(10,11)/rA:29nCCCCCCCClNCOCOCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl2N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6309 |
Area: | 668.459 |
Solvation: | -5.08062 |
Coulombic: | -50.7818 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 429.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.12 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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