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Chemical ID: 6719567
Chemical ID:
6719567
Name [?]:
4-fluoro-N-[2-(2,3,4,5-tetrahydropyrrol-1-yl)ethyl]benzamide
SMILES [?]:
c1cc(ccc1C(=O)NCC[NH+]2CCCC2)F
InChi [?]:
InChI=1/C13H17FN2O/c14-12-5-3-11(4-6-12)13(17)15-7-10-16-8-1-2-9-16/h3-6H,1-2,7-10H2,(H,15,17)/p+1
InChi Info:
AuxInfo=1/1/N:14,15,1,5,2,4,10,13,16,11,6,3,7,17,9,12,8/E:(1,2)(3,4)(5,6)(8,9)/rA:17nCCCCCCCONCCN+CCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s12s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18FN2O+ |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.97 |
Area: | 431.564 |
Solvation: | -33.7591 |
Coulombic: | 5.32827 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 237.293 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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