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Chemical ID: 6303316
Chemical ID:
6303316
Name [?]:
4-[(4-chlorophenoxy)methyl]-N-(3-chlorophenyl)-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)c2ccc(cc2)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H15Cl2NO2/c21-16-8-10-19(11-9-16)25-13-14-4-6-15(7-5-14)20(24)23-18-3-1-2-17(22)12-18/h1-12H,13H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,6,2,13,15,12,16,21,23,20,24,4,17,14,11,22,5,3,19,9,25,7,8,10,18/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCClNCOCCCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15Cl2NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6323 |
Area: | 599.733 |
Solvation: | -3.36106 |
Coulombic: | -32.2919 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.86 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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