Chemical ID: 7444967

c1cc(ccc1OCC(=O)NCC[NH+]2CCCC2)F
Chemical ID:
7444967
Name [?]:
2-(4-fluorophenoxy)-N-[2-(2,3,4,5-tetrahydropyrrol-1-yl)ethyl]acetamide
SMILES [?]:
c1cc(ccc1OCC(=O)NCC[NH+]2CCCC2)F
InChi [?]:
InChI=1/C14H19FN2O2/c15-12-3-5-13(6-4-12)19-11-14(18)16-7-10-17-8-1-2-9-17/h3-6H,1-2,7-11H2,(H,16,18)/p+1
InChi Info:
AuxInfo=1/1/N:16,17,2,4,1,5,12,15,18,13,8,3,6,9,19,11,14,10,7/E:(1,2)(3,4)(5,6)(8,9)/rA:19nCCCCCCOCCONCCN+CCCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s14s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20FN2O2+
All Atoms:39
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-23.9415
Area:476.646
Solvation:-35.8576
Coulombic:-0.244729
Bond Count [?]
All:20
Single:16
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:267.319
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.63
LogP (Chemaxon):1.16

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Descriptor Annotations

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