Chemical ID: 5770257

c1ccc(c(c1)C(=O)N2CCCCC2)NC(=O)c3ccccc3Br
Chemical ID:
5770257
Name [?]:
2-bromo-N-[2-(1-piperidylcarbonyl)phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCCC2)NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C19H19BrN2O2/c20-16-10-4-2-8-14(16)18(23)21-17-11-5-3-9-15(17)19(24)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-13H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:12,20,1,21,2,11,13,19,6,22,3,10,14,18,5,23,4,16,7,24,15,9,17,8/E:(6,7)(12,13)/rA:24nCCCCCCCONCCCCCNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19BrN2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.604
Area:526.513
Solvation:-2.55886
Coulombic:-40.5626
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:387.27
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):4.41

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