Chemical ID: 4910608

c1cc(ccc1C(=O)CCCN2CCC(CC2)C(=O)c3ccc(cc3)F)F
Chemical ID:
4910608
Name [?]:
4-[4-(4-fluorobenzoyl)-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one
SMILES [?]:
c1cc(ccc1C(=O)CCCN2CCC(CC2)C(=O)c3ccc(cc3)F)F
InChi [?]:
InChI=1/C22H23F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18H,1-2,11-15H2
InChi Info:
AuxInfo=1/0/N:10,9,1,5,21,25,2,4,22,24,14,16,11,13,17,6,20,15,3,23,7,18,27,26,12,8,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:27nCCCCCCCOCCCNCCCCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23F2NO2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.2691
Area:598.58
Solvation:-5.69539
Coulombic:-28.3468
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.42
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.08
LogP (Chemaxon):3.51

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Descriptor Annotations

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