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Chemical ID: 4345966
Chemical ID:
4345966
Name [?]:
3-chloro-4-methoxy-N-[4-(trifluoromethoxy)phenyl]-benzamide
SMILES [?]:
COc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C15H11ClF3NO3/c1-22-13-7-2-9(8-12(13)16)14(21)20-10-3-5-11(6-4-10)23-15(17,18)19/h2-8H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,14,18,15,17,4,7,6,13,16,8,3,10,20,9,21,22,23,12,11,2,19/E:(3,4)(5,6)(17,18,19)/rA:23nCOCCCCCCClCONCCCCCCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClF3NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93069 |
Area: | 502.849 |
Solvation: | -3.64054 |
Coulombic: | -61.2669 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 345.701 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.7 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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