Chemical ID: 4203956

c1ccc(c(c1)CNC(=O)C2CCN(CC2)Cc3c(cccc3Cl)F)Cl
Chemical ID:
4203956
Name [?]:
1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
c1ccc(c(c1)CNC(=O)C2CCN(CC2)Cc3c(cccc3Cl)F)Cl
InChi [?]:
InChI=1/C20H21Cl2FN2O/c21-17-5-2-1-4-15(17)12-24-20(26)14-8-10-25(11-9-14)13-16-18(22)6-3-7-19(16)23/h1-7,14H,8-13H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,21,6,3,22,20,12,16,13,15,7,17,11,5,18,4,23,19,9,26,24,25,8,14,10/E:(8,9)(10,11)/rA:26nCCCCCCCNCOCCCNCCCCCCCCCClFCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s23;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21Cl2FN2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6018
Area:591.551
Solvation:-3.18703
Coulombic:-32.3326
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.297
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.59
LogP (Chemaxon):4.32

Name Annotations

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Descriptor Annotations

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