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Chemical ID: 6839682
Chemical ID:
6839682
Name [?]:
N-(2,5-dichlorophenyl)-4-[(2-methoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
COc1ccccc1NC(=O)COc2ccc(cc2)C(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O4/c1-29-20-5-3-2-4-18(20)25-21(27)13-30-16-9-6-14(7-10-16)22(28)26-19-12-15(23)8-11-17(19)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,16,18,26,15,19,27,24,12,17,25,14,28,8,23,3,10,20,30,29,9,22,11,21,2,13/E:(6,7)(9,10)/rA:30nCOCCCCCCNCOCOCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl2N2O4 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1577 |
Area: | 677.229 |
Solvation: | -5.773 |
Coulombic: | -58.8885 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 445.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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