Chemical ID: 7270692

c1cc(ccc1OCC(=O)NCCCN2CCCC2=O)Br
Chemical ID:
7270692
Name [?]:
2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)NCCCN2CCCC2=O)Br
InChi [?]:
InChI=1/C15H19BrN2O3/c16-12-4-6-13(7-5-12)21-11-14(19)17-8-2-10-18-9-1-3-15(18)20/h4-7H,1-3,8-11H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:17,13,18,2,4,1,5,12,16,14,8,3,6,9,19,21,11,15,10,20,7/E:(4,5)(6,7)/rA:21nCCCCCCOCCONCCCNCCCCOBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s15s18;d19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19BrN2O3
All Atoms:40
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.28435
Area:540.859
Solvation:-5.23713
Coulombic:-43.1526
Bond Count [?]
All:22
Single:17
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.227
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.89
LogP (Chemaxon):0.99

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