Chemical ID: 4511009

c1cc(cc(c1)F)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)Cl
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

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