Chemical ID: 3852809

COc1ccc(cc1)N2CCN(CC2)CC(=O)Nc3ccc(cc3)F
Chemical ID:
3852809
Name [?]:
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-acetamide
SMILES [?]:
COc1ccc(cc1)N2CCN(CC2)CC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C19H22FN3O2/c1-25-18-8-6-17(7-9-18)23-12-10-22(11-13-23)14-19(24)21-16-4-2-15(20)3-5-16/h2-9H,10-14H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,23,20,24,5,7,4,8,11,13,10,14,15,22,19,6,3,16,25,18,12,9,17,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCOCCCCCCNCCNCCCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;s12;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22FN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.08597
Area:545.852
Solvation:-5.56032
Coulombic:-42.0476
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.395
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.69
LogP (Chemaxon):3.08

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Descriptor Annotations

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