Chemical ID: 5562469

CCN(CC(=C)C)C(=O)C1CCN(CC1)Cc2c(cccc2Cl)F
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

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Descriptor Annotations

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