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Chemical ID: 7444967
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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