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Chemical ID: 7366426
Chemical ID:
7366426
Name [?]:
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxy-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)C(C(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)O
InChi [?]:
InChI=1/C15H11ClF3NO2/c16-12-7-6-10(8-11(12)15(17,18)19)20-14(22)13(21)9-4-2-1-3-5-9/h1-8,13,21H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,16,4,11,15,14,7,8,17,21,18,19,20,10,22,9/E:(2,3)(4,5)(17,18,19)/rA:22cCCCCCCCCONCCCCCCCFFFClO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s17;s17;s14;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClF3NO2 |
All Atoms: | 33 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.28423 |
Area: | 483.363 |
Solvation: | -3.79984 |
Coulombic: | -58.0327 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.701 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.36 |
LogP (Chemaxon): | 4.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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