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Chemical ID: 4510916
Chemical ID:
4510916
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-1-(2,4-dichlorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3Cl)Cl)Cl)F
InChi [?]:
InChI=1/C19H16Cl3FN2O2/c20-12-1-3-14(15(21)9-12)19(27)25-7-5-11(6-8-25)18(26)24-13-2-4-17(23)16(22)10-13/h1-4,9-11H,5-8H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:20,1,19,2,11,15,12,14,22,5,10,21,6,18,23,4,3,8,16,25,24,26,27,7,13,9,17/E:(5,6)(7,8)/rA:27nCCCCCCNCOCCCNCCCOCCCCCCClClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s23;s21;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl3FN2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1408 |
Area: | 614.446 |
Solvation: | -4.22036 |
Coulombic: | -41.5952 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 429.699 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.87 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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