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Chemical ID: 6424532
Chemical ID:
6424532
Name [?]:
2-(2-chlorophenoxy)-N-[2-[2-(2-chlorophenoxy)acetyl]aminophenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)COc2ccccc2Cl)NC(=O)COc3ccccc3Cl
InChi [?]:
InChI=1/C22H18Cl2N2O4/c23-15-7-1-5-11-19(15)29-13-21(27)25-17-9-3-4-10-18(17)26-22(28)14-30-20-12-6-2-8-16(20)24/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:15,27,1,2,14,26,16,28,6,3,13,25,10,22,17,29,5,4,12,24,8,20,18,30,7,19,9,21,11,23/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/gE:(1,2)/rA:30nCCCCCCNCOCOCCCCCCClNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s4;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18Cl2N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11492 |
Area: | 680.508 |
Solvation: | -7.89779 |
Coulombic: | -57.3498 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 445.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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