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Chemical ID: 6335312
Chemical ID:
6335312
Name [?]:
N-(2-chlorophenyl)-4-[4-[(2-chlorophenyl)carbamoyl]phenoxy]-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4Cl)Cl
InChi [?]:
InChI=1/C26H18Cl2N2O3/c27-21-5-1-3-7-23(21)29-25(31)17-9-13-19(14-10-17)33-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28/h1-16H,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:2,29,1,28,3,30,6,27,11,15,19,21,12,14,18,22,10,20,13,17,4,31,5,26,8,23,33,32,7,25,9,24,16/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)(31,32)/gE:(1,2)/rA:33nCCCCCCNCOCCCCCCOCCCCCCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H18Cl2N2O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2762 |
Area: | 710.396 |
Solvation: | -3.48367 |
Coulombic: | -54.7568 |
Bond Count [?]
All: | 36 |
Single: | 22 |
Double: | 14 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 477.338 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.69 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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