Chemical ID: 4510916

c1cc(c(cc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3Cl)Cl)Cl)F
Chemical ID:
4510916
Name [?]:
N-(3-chloro-4-fluoro-phenyl)-1-(2,4-dichlorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3Cl)Cl)Cl)F
InChi [?]:
InChI=1/C19H16Cl3FN2O2/c20-12-1-3-14(15(21)9-12)19(27)25-7-5-11(6-8-25)18(26)24-13-2-4-17(23)16(22)10-13/h1-4,9-11H,5-8H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:20,1,19,2,11,15,12,14,22,5,10,21,6,18,23,4,3,8,16,25,24,26,27,7,13,9,17/E:(5,6)(7,8)/rA:27nCCCCCCNCOCCCNCCCOCCCCCCClClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s23;s21;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl3FN2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.1408
Area:614.446
Solvation:-4.22036
Coulombic:-41.5952
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.699
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.87
LogP (Chemaxon):4.48

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