Chemical ID: 4345966

COc1ccc(cc1Cl)C(=O)Nc2ccc(cc2)OC(F)(F)F
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

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Descriptor Annotations

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