Chemical ID: 6876244

COc1ccccc1NC(=O)c2ccc(cc2)OCC(=O)Nc3cc(ccc3Cl)Cl
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

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Descriptor Annotations

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