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Chemical ID: 3948675
Chemical ID:
3948675
Name [?]:
2-[4-(4-chlorobenzoyl)-1-piperidyl]-N-(4-fluorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1C(=O)C2CCN(CC2)CC(=O)Nc3ccc(cc3)F)Cl
InChi [?]:
InChI=1/C20H20ClFN2O2/c21-16-3-1-14(2-4-16)20(26)15-9-11-24(12-10-15)13-19(25)23-18-7-5-17(22)6-8-18/h1-8,15H,9-13H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,21,23,20,24,10,14,11,13,15,6,9,3,22,19,16,7,26,25,18,12,17,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCOCCCNCCCCONCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20ClFN2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59181 |
Area: | 586.463 |
Solvation: | -5.06976 |
Coulombic: | -37.3986 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.836 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.44 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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