Chemical ID: 4098503

c1cc(c(c(c1)Cl)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)F)Cl
Chemical ID:
4098503
Name [?]:
N-(2,6-dichlorophenyl)-1-(4-fluorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3)F)Cl
InChi [?]:
InChI=1/C19H17Cl2FN2O2/c20-15-2-1-3-16(21)17(15)23-18(25)12-8-10-24(11-9-12)19(26)13-4-6-14(22)7-5-13/h1-7,12H,8-11H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,24,21,23,12,16,13,15,11,19,22,3,5,4,9,17,26,7,25,8,14,10,18/E:(2,3)(4,5)(6,7)(8,9)(10,11)(15,16)(20,21)/rA:26nCCCCCCClNCOCCCNCCCOCCCCCCFCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17Cl2FN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.186
Area:570.771
Solvation:-4.08331
Coulombic:-42.4057
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.254
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):2.66

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Descriptor Annotations

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