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Chemical ID: 7521147
Chemical ID:
7521147
Name [?]:
2-(4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)COc2ccc(cc2)C=O
InChi [?]:
InChI=1/C16H12F3NO3/c17-16(18,19)13-3-1-2-4-14(13)20-15(22)10-23-12-7-5-11(9-21)6-8-12/h1-9H,10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,20,17,21,22,14,19,16,5,4,12,7,8,9,10,11,23,13,15/E:(5,6)(7,8)(17,18,19)/rA:23nCCCCCCCFFFNCOCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12F3NO3 |
All Atoms: | 35 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.64133 |
Area: | 499.138 |
Solvation: | -5.83712 |
Coulombic: | -53.9066 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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