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Chemical ID: 5131791
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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