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Chemical ID: 7304933
Chemical ID:
7304933
Name [?]:
3,5-difluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILES [?]:
c1cc(ccc1CCNC(=O)c2cc(cc(c2)F)F)F
InChi [?]:
InChI=1/C15H12F3NO/c16-12-3-1-10(2-4-12)5-6-19-15(20)11-7-13(17)9-14(18)8-11/h1-4,7-9H,5-6H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,8,13,17,15,6,12,3,14,16,10,20,19,18,9,11/E:(1,2)(3,4)(7,8)(13,14)(17,18)/rA:20nCCCCCCCCNCOCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12F3NO |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.93258 |
Area: | 458.083 |
Solvation: | -4.51951 |
Coulombic: | -32.5273 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.257 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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