Chemical ID: 6611901

c1cc(cc(c1)NC(=O)COc2ccc(cc2)F)C(F)(F)F
Chemical ID:
6611901
Name [?]:
2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)COc2ccc(cc2)F)C(F)(F)F
InChi [?]:
InChI=1/C15H11F4NO2/c16-11-4-6-13(7-5-11)22-9-14(21)20-12-3-1-2-10(8-12)15(17,18)19/h1-8H,9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,16,13,17,4,10,3,15,5,12,8,19,18,20,21,22,7,9,11/E:(4,5)(6,7)(17,18,19)/rA:22nCCCCCCNCOCOCCCCCCFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s3;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F4NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:6.22967
Area:473.095
Solvation:-5.59769
Coulombic:-49.9915
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.247
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.76
LogP (Chemaxon):3.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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