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Chemical ID: 5807265
Chemical ID:
5807265
Name [?]:
2-(3-pyridylmethylamino)-N-[4-(trifluoromethoxy)phenyl]-acetamide
SMILES [?]:
c1cc(cnc1)CNCC(=O)Nc2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C15H14F3N3O2/c16-15(17,18)23-13-5-3-12(4-6-13)21-14(22)10-20-9-11-2-1-7-19-8-11/h1-8,20H,9-10H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,15,17,6,4,7,9,3,13,16,10,20,21,22,23,5,8,12,11,19/E:(3,4)(5,6)(16,17,18)/rA:23nCCCCNCCNCCONCCCCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14F3N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59359 |
Area: | 508.857 |
Solvation: | -4.12783 |
Coulombic: | -64.9044 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.286 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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