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Chemical ID: 5165354
Chemical ID:
5165354
Name [?]:
1-(2-chlorobenzoyl)-N-ethyl-piperidine-4-carboxamide
SMILES [?]:
CCNC(=O)C1CCN(CC1)C(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C15H19ClN2O2/c1-2-17-14(19)11-7-9-18(10-8-11)15(20)12-5-3-4-6-13(12)16/h3-6,11H,2,7-10H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,7,11,8,10,6,14,19,4,12,20,3,9,5,13/E:(7,8)(9,10)/rA:20nCCNCOCCCNCCCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19ClN2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.03403 |
Area: | 486.854 |
Solvation: | -3.13732 |
Coulombic: | -38.3356 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 294.776 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.32 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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