Chemical ID: 3960831

c1ccc(c(c1)C(=O)NC2CCN(CC2)CC(=O)N3CCCC3)Br
Chemical ID:
3960831
Name [?]:
2-bromo-N-[1-(pyrrolidin-1-ylcarbonylmethyl)-4-piperidyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCN(CC2)CC(=O)N3CCCC3)Br
InChi [?]:
InChI=1/C18H24BrN3O2/c19-16-6-2-1-5-15(16)18(24)20-14-7-11-21(12-8-14)13-17(23)22-9-3-4-10-22/h1-2,5-6,14H,3-4,7-13H2,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,6,3,11,15,20,23,12,14,16,10,5,4,17,7,24,9,13,19,18,8/E:(3,4)(7,8)(9,10)(11,12)/rA:24nCCCCCCCONCCCNCCCCONCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;s20;s21;s19s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24BrN3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2069
Area:560.46
Solvation:-3.80463
Coulombic:-42.8407
Bond Count [?]
All:26
Single:21
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.306
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.44
LogP (Chemaxon):1.21

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