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Chemical ID: 4098503
Chemical ID:
4098503
Name [?]:
N-(2,6-dichlorophenyl)-1-(4-fluorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)F)Cl
InChi [?]:
InChI=1/C19H17Cl2FN2O2/c20-15-2-1-3-16(21)17(15)23-18(25)12-8-10-24(11-9-12)19(26)13-4-6-14(22)7-5-13/h1-7,12H,8-11H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,24,21,23,12,16,13,15,11,19,22,3,5,4,9,17,26,7,25,8,14,10,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(15,16)(20,21)/rA:26nCCCCCCClNCOCCCNCCCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17Cl2FN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.186 |
Area: | 570.771 |
Solvation: | -4.08331 |
Coulombic: | -42.4057 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 395.254 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.25 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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