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Chemical ID: 4721247
Chemical ID:
4721247
Name [?]:
3-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]-butanamide
SMILES [?]:
CC(CC(=O)Nc1ccccc1C(F)(F)F)N2CCCC2
InChi [?]:
InChI=1/C15H19F3N2O/c1-11(20-8-4-5-9-20)10-14(21)19-13-7-3-2-6-12(13)15(16,17)18/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,10,9,19,20,11,8,18,21,3,2,12,7,4,13,14,15,16,6,17,5/E:(4,5)(8,9)(16,17,18)/rA:21cCCCCONCCCCCCCFFFNCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s13;s13;s2;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19F3N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.46828 |
Area: | 459.639 |
Solvation: | -3.02269 |
Coulombic: | -43.435 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.85 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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