Chemical ID: 4407596

c1ccc(c(c1)C(=O)N2CCC(CC2)C(=O)Nc3ccccc3Br)Cl
Chemical ID:
4407596
Name [?]:
N-(2-bromophenyl)-1-(2-chlorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCC(CC2)C(=O)Nc3ccccc3Br)Cl
InChi [?]:
InChI=1/C19H18BrClN2O2/c20-15-6-2-4-8-17(15)22-18(24)13-9-11-23(12-10-13)19(25)14-5-1-3-7-16(14)21/h1-8,13H,9-12H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,21,2,20,6,22,3,19,11,13,10,14,12,5,23,4,18,15,7,24,25,17,9,16,8/E:(9,10)(11,12)/rA:25nCCCCCCCONCCCCCCONCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18BrClN2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0151
Area:567.873
Solvation:-3.18169
Coulombic:-39.229
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.715
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.26
LogP (Chemaxon):3.44

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