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Chemical ID: 4511026
Chemical ID:
4511026
Name [?]:
1-(4-chlorobenzoyl)-N-(2,4-difluorophenyl)-piperidine-4-carboxamide
SMILES [?]:
c1cc(ccc1C(=O)N2CCC(CC2)C(=O)Nc3ccc(cc3F)F)Cl
InChi [?]:
InChI=1/C19H17ClF2N2O2/c20-14-3-1-13(2-4-14)19(26)24-9-7-12(8-10-24)18(25)23-17-6-5-15(21)11-16(17)22/h1-6,11-12H,7-10H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,20,19,11,13,10,14,22,12,6,3,21,23,18,15,7,26,25,24,17,9,16,8/E:(1,2)(3,4)(7,8)(9,10)/rA:26nCCCCCCCONCCCCCCONCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClF2N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62229 |
Area: | 560.701 |
Solvation: | -4.39523 |
Coulombic: | -45.4857 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.8 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.79 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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