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Chemical ID: 7318938
Chemical ID:
7318938
Name [?]:
N-(2,5-difluorophenyl)-2-(1-piperidyl)acetamide
SMILES [?]:
c1cc(c(cc1F)NC(=O)CN2CCCCC2)F
InChi [?]:
InChI=1/C13H16F2N2O/c14-10-4-5-11(15)12(8-10)16-13(18)9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,2,13,17,5,11,6,3,4,9,7,18,8,12,10/E:(2,3)(6,7)/rA:18nCCCCCCFNCOCNCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16F2N2O |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.58782 |
Area: | 416.684 |
Solvation: | -3.82928 |
Coulombic: | -32.4053 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.99 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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