Chemical ID: 6526665

c1cc(c(c(c1)F)C(=O)NCC2CCN(CC2)C(=O)c3c(cccc3F)F)F
Chemical ID:
6526665
Name [?]:
N-[[1-(2,6-difluorobenzoyl)-4-piperidyl]methyl]-2,6-difluoro-benzamide
SMILES [?]:
c1cc(c(c(c1)F)C(=O)NCC2CCN(CC2)C(=O)c3c(cccc3F)F)F
InChi [?]:
InChI=1/C20H18F4N2O2/c21-13-3-1-4-14(22)17(13)19(27)25-11-12-7-9-26(10-8-12)20(28)18-15(23)5-2-6-16(18)24/h1-6,12H,7-11H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,23,2,6,22,24,13,17,14,16,11,12,3,5,21,25,4,20,8,18,28,7,27,26,10,15,9,19/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)(21,22)(23,24)/rA:28nCCCCCCFCONCCCCNCCCOCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s25;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18F4N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.71534
Area:572.921
Solvation:-6.60767
Coulombic:-51.4526
Bond Count [?]
All:30
Single:22
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.363
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.17
LogP (Chemaxon):2.94

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Descriptor Annotations

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