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Chemical ID: 4232236
Chemical ID:
4232236
Name [?]:
N-(2-fluorophenyl)-3-pyrrolidin-1-yl-propanamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CCN2CCCC2)F
InChi [?]:
InChI=1/C13H17FN2O/c14-11-5-1-2-6-12(11)15-13(17)7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:2,1,14,15,3,6,10,13,16,11,4,5,8,17,7,12,9/E:(3,4)(8,9)/rA:17nCCCCCCNCOCCNCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s12s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17FN2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97151 |
Area: | 419.956 |
Solvation: | -2.5274 |
Coulombic: | -29.711 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 236.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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