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Chemical ID: 5562469
Chemical ID:
5562469
Name [?]:
1-[(2-chloro-6-fluoro-phenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
SMILES [?]:
CCN(CC(=C)C)C(=O)C1CCN(CC1)Cc2c(cccc2Cl)F
InChi [?]:
InChI=1/C19H26ClFN2O/c1-4-23(12-14(2)3)19(24)15-8-10-22(11-9-15)13-16-17(20)6-5-7-18(16)21/h5-7,15H,2,4,8-13H2,1,3H3
InChi Info:
AuxInfo=1/0/N:1,6,7,2,20,21,19,11,15,12,14,4,16,5,10,17,22,18,8,23,24,13,3,9/E:(8,9)(10,11)/rA:24nCCNCCCCCOCCCNCCCCCCCCCClF/rB:s1;s2;s3;s4;d5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26ClFN2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7811 |
Area: | 554.444 |
Solvation: | -3.08001 |
Coulombic: | -27.0233 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.874 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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