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Chemical ID: 5343110
Chemical ID:
5343110
Name [?]:
N-[3-chloro-2-(1-piperidyl)phenyl]-3-fluoro-benzamide
SMILES [?]:
c1cc(cc(c1)F)C(=O)Nc2cccc(c2N3CCCCC3)Cl
InChi [?]:
InChI=1/C18H18ClFN2O/c19-15-8-5-9-16(17(15)22-10-2-1-3-11-22)21-18(23)13-6-4-7-14(20)12-13/h4-9,12H,1-3,10-11H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:20,19,21,1,13,2,6,14,12,18,22,4,3,5,15,11,16,8,23,7,10,17,9/E:(2,3)(10,11)/rA:23nCCCCCCFCONCCCCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s20;s17s21;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClFN2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0447 |
Area: | 503.012 |
Solvation: | -2.53056 |
Coulombic: | -34.006 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.799 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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