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Chemical ID: 6150063
Chemical ID:
6150063
Name [?]:
N-[2-morpholino-5-(trifluoromethyl)phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1cc(ccc1N2CCOCC2)C(F)(F)F
InChi [?]:
InChI=1/C15H19F3N2O2/c1-2-3-14(21)19-12-10-11(15(16,17)18)4-5-13(12)20-6-8-22-9-7-20/h4-5,10H,2-3,6-9H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,10,11,14,18,15,17,8,9,7,12,4,19,20,21,22,6,13,5,16/E:(6,7)(8,9)(16,17,18)/rA:22nCCCCONCCCCCCNCCOCCCFFF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s9;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19F3N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09563 |
Area: | 486.107 |
Solvation: | -4.05704 |
Coulombic: | -53.2427 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.83 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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