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Chemical ID: 7319387
Chemical ID:
7319387
Name [?]:
N-(2,5-difluorophenyl)-2-(4-methyl-1-piperidyl)-acetamide
SMILES [?]:
CC1CCN(CC1)CC(=O)Nc2cc(ccc2F)F
InChi [?]:
InChI=1/C14H18F2N2O/c1-10-4-6-18(7-5-10)9-14(19)17-13-8-11(15)2-3-12(13)16/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,15,16,3,7,4,6,13,8,2,14,17,12,9,19,18,11,5,10/E:(4,5)(6,7)/rA:19nCCCCNCCCCONCCCCCCFF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18F2N2O |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13689 |
Area: | 439.61 |
Solvation: | -3.85336 |
Coulombic: | -32.6569 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 268.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.5 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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