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Chemical ID: 7319372
Chemical ID:
7319372
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-2-(4-methyl-1-piperidyl)-acetamide
SMILES [?]:
CC1CCN(CC1)CC(=O)Nc2ccc(c(c2)Cl)F
InChi [?]:
InChI=1/C14H18ClFN2O/c1-10-4-6-18(7-5-10)9-14(19)17-11-2-3-13(16)12(15)8-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,13,14,3,7,4,6,17,8,2,12,16,15,9,18,19,11,5,10/E:(4,5)(6,7)/rA:19nCCCCNCCCCONCCCCCCClF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18ClFN2O |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25429 |
Area: | 466.442 |
Solvation: | -3.40675 |
Coulombic: | -29.208 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 284.757 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.96 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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