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Chemical ID: 4511009
Chemical ID:
4511009
Name [?]:
1-(4-chlorobenzoyl)-N-(3-fluorophenyl)-piperidine-4-carboxamide
SMILES [?]:
c1cc(cc(c1)F)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H18ClFN2O2/c20-15-6-4-14(5-7-15)19(25)23-10-8-13(9-11-23)18(24)22-17-3-1-2-16(21)12-17/h1-7,12-13H,8-11H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,6,2,20,24,21,23,12,16,13,15,4,11,19,22,5,3,9,17,25,7,8,14,10,18/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCFNCOCCCNCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18ClFN2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0453 |
Area: | 555.524 |
Solvation: | -3.84278 |
Coulombic: | -42.2203 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 360.81 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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