Chemical ID: 6302875

COc1ccc(cc1OC)CC(=O)NCc2cccc(c2)C(F)(F)F
Chemical ID:
6302875
Name [?]:
2-(3,4-dimethoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILES [?]:
COc1ccc(cc1OC)CC(=O)NCc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C18H18F3NO3/c1-24-15-7-6-12(9-16(15)25-2)10-17(23)22-11-13-4-3-5-14(8-13)18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,5,4,21,7,11,15,6,16,20,3,8,12,22,23,24,25,14,13,2,9/E:(19,20,21)/rA:25nCOCCCCCCOCCCONCCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18F3NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.21039
Area:553.262
Solvation:-6.62117
Coulombic:-53.8557
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:353.336
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):3.21

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