Chemical ID: 4059777

Cc1cccc(c1NC(=O)N2CCN(CC2)c3ccccc3F)C
Chemical ID:
4059777
Name [?]:
N-(2,6-dimethylphenyl)-4-(2-fluorophenyl)-piperazine-1-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)N2CCN(CC2)c3ccccc3F)C
InChi [?]:
InChI=1/C19H22FN3O/c1-14-6-5-7-15(2)18(14)21-19(24)23-12-10-22(11-13-23)17-9-4-3-8-16(17)20/h3-9H,10-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,20,19,4,3,5,21,18,13,15,12,16,2,6,22,17,7,9,23,8,14,11,10/E:(1,2)(6,7)(10,11)(12,13)(14,15)/rA:24nCCCCCCCNCONCCNCCCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22FN3O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.25994
Area:522.097
Solvation:-3.79249
Coulombic:-41.4688
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.396
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):3.32

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Descriptor Annotations

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