Chemical ID: 7010322

COc1ccc(cc1)c2cccc(c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
Chemical ID:
7010322
Name [?]:
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)c2cccc(c2)C(=O)Nc3cc(ccc3Cl)C(F)(F)F
InChi [?]:
InChI=1/C21H15ClF3NO2/c1-28-17-8-5-13(6-9-17)14-3-2-4-15(11-14)20(27)26-19-12-16(21(23,24)25)7-10-18(19)22/h2-12H,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,5,7,21,4,8,22,14,19,6,9,13,20,3,23,18,15,25,24,26,27,28,17,16,2/E:(5,6)(8,9)(23,24,25)/rA:28nCOCCCCCCCCCCCCCONCCCCCCClCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s20;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClF3NO2
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.8416
Area:593.27
Solvation:-3.99013
Coulombic:-49.9512
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.797
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.39
LogP (Chemaxon):5.28

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