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Chemical ID: 6032664
Chemical ID:
6032664
Name [?]:
2-methyl-N-[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]ethyl]furan-3-carboxamide
SMILES [?]:
Cc1c(cco1)C(=O)NCCC(=O)NCc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C17H17F3N2O3/c1-11-14(6-8-25-11)16(24)21-7-5-15(23)22-10-12-3-2-4-13(9-12)17(18,19)20/h2-4,6,8-9H,5,7,10H2,1H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,11,4,10,5,21,15,2,16,20,3,12,7,22,23,24,25,9,14,13,8,6/E:(18,19,20)/rA:25nCCCCCOCONCCCONCCCCCCCCFFF/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17F3N2O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29475 |
Area: | 568.29 |
Solvation: | -4.9125 |
Coulombic: | -66.7958 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.324 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.23 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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