Chemical ID: 5131791

c1ccc(cc1)OCCNC(=O)c2ccccc2C(F)(F)F
Chemical ID:
5131791
Name [?]:
N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
SMILES [?]:
c1ccc(cc1)OCCNC(=O)c2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C16H14F3NO2/c17-16(18,19)14-9-5-4-8-13(14)15(21)20-10-11-22-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,16,3,5,14,17,9,8,4,13,18,11,19,20,21,22,10,12,7/E:(2,3)(6,7)(17,18,19)/rA:22nCCCCCCOCCNCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14F3NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.84266
Area:480.537
Solvation:-4.17076
Coulombic:-48.9025
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.283
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.08
LogP (Chemaxon):3.44

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Descriptor Annotations

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