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Chemical ID: 6876244
Chemical ID:
6876244
Name [?]:
4-[(2,5-dichlorophenyl)carbamoylmethoxy]-N-(2-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C22H18Cl2N2O4/c1-29-20-5-3-2-4-18(20)26-22(28)14-6-9-16(10-7-14)30-13-21(27)25-19-12-15(23)8-11-17(19)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,13,17,26,14,16,27,24,19,12,25,15,28,8,23,3,20,10,30,29,22,9,21,11,2,18/E:(6,7)(9,10)/rA:30nCOCCCCCCNCOCCCCCCOCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;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: | 11.1182 |
Area: | 678.568 |
Solvation: | -5.84599 |
Coulombic: | -58.8213 |
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: | 4.81 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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