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Chemical ID: 5562930
Chemical ID:
5562930
Name [?]:
2-(2,6-dimethylmorpholin-4-yl)-N-(2,3,4-trifluorophenyl)-acetamide
SMILES [?]:
CC1CN(CC(O1)C)CC(=O)Nc2ccc(c(c2F)F)F
InChi [?]:
InChI=1/C14H17F3N2O2/c1-8-5-19(6-9(2)21-8)7-12(20)18-11-4-3-10(15)13(16)14(11)17/h3-4,8-9H,5-7H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,8,15,14,3,5,9,2,6,16,13,10,17,18,21,20,19,12,4,11,7/E:(1,2)(5,6)(8,9)/rA:21cCCCNCCOCCCONCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17F3N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.61608 |
Area: | 465.564 |
Solvation: | -6.02301 |
Coulombic: | -43.3985 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.292 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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