Chemical ID: 4336268

c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)Cc3ccc(cc3)F
Chemical ID:
4336268
Name [?]:
(3-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-methanone
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C18H18ClFN2O/c19-16-3-1-2-15(12-16)18(23)22-10-8-21(9-11-22)13-14-4-6-17(20)7-5-14/h1-7,12H,8-11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,18,22,19,21,12,14,11,15,4,16,17,3,5,20,8,7,23,13,10,9/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCCCCClCONCCNCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClFN2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.8497
Area:523.523
Solvation:-3.23838
Coulombic:-28.0295
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.799
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):3.43

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