Chemical ID: 6479439

Cc1ccccc1NC(=O)N2CCN(CC2)c3ccc(cc3)F
Chemical ID:
6479439
Name [?]:
4-(4-fluorophenyl)-N-(o-tolyl)piperazine-1-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)N2CCN(CC2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H20FN3O/c1-14-4-2-3-5-17(14)20-18(23)22-12-10-21(11-13-22)16-8-6-15(19)7-9-16/h2-9H,10-13H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,19,21,18,22,13,15,12,16,2,20,17,7,9,23,8,14,11,10/E:(6,7)(8,9)(10,11)(12,13)/rA:23nCCCCCCCNCONCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20FN3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.14005
Area:503.324
Solvation:-3.44306
Coulombic:-40.8656
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.369
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.26
LogP (Chemaxon):3.51

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Descriptor Annotations

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