Chemical ID: 7305978

c1ccc(c(c1)N2CCN(CC2)C(=O)c3cc(cc(c3)F)F)Cl
Chemical ID:
7305978
Name [?]:
[4-(2-chlorophenyl)piperazin-1-yl]-(3,5-difluorophenyl)-methanone
SMILES [?]:
c1ccc(c(c1)N2CCN(CC2)C(=O)c3cc(cc(c3)F)F)Cl
InChi [?]:
InChI=1/C17H15ClF2N2O/c18-15-3-1-2-4-16(15)21-5-7-22(8-6-21)17(23)12-9-13(19)11-14(20)10-12/h1-4,9-11H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,8,12,9,11,16,20,18,15,17,19,4,5,13,23,22,21,7,10,14/E:(5,6)(7,8)(9,10)(13,14)(19,20)/rA:23nCCCCCCNCCNCCCOCCCCCCFFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s19;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClF2N2O
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.40776
Area:501.674
Solvation:-4.1341
Coulombic:-30.9934
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.763
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.32
LogP (Chemaxon):3.94

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