Chemical ID: 4176044

Cc1ccccc1C(=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
4176044
Name [?]:
2-methyl-N-[3-(trifluoromethyl)phenyl]-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C15H12F3NO/c1-10-5-2-3-8-13(10)14(20)19-12-7-4-6-11(9-12)15(16,17)18/h2-9H,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,13,3,14,12,6,16,2,15,11,7,8,17,18,19,20,10,9/E:(16,17,18)/rA:20nCCCCCCCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12F3NO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.56618
Area:434.114
Solvation:-2.28667
Coulombic:-42.0115
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.257
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.36
LogP (Chemaxon):4.45

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