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Chemical ID: 4408249
Chemical ID:
4408249
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-1-(4-fluorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
COc1ccc(cc1Cl)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H20ClFN2O3/c1-27-18-7-6-16(12-17(18)21)23-19(25)13-8-10-24(11-9-13)20(26)14-2-4-15(22)5-3-14/h2-7,12-13H,8-11H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,22,26,23,25,5,4,14,18,15,17,7,13,21,24,6,8,3,11,19,9,27,10,16,12,20,2/E:(2,3)(4,5)(8,9)(10,11)/rA:27nCOCCCCCCClNCOCCCNCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20ClFN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35509 |
Area: | 588.876 |
Solvation: | -5.36682 |
Coulombic: | -48.4104 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 390.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.54 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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