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Chemical ID: 4174766
Chemical ID:
4174766
Name [?]:
3-fluoro-N-(2-fluorophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cccc(c2)F)F
InChi [?]:
InChI=1/C13H9F2NO/c14-10-5-3-4-9(8-10)13(17)16-12-7-2-1-6-11(12)15/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:2,1,12,11,13,3,6,15,10,14,4,5,8,16,17,7,9/rA:17nCCCCCCNCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9F2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74353 |
Area: | 390.312 |
Solvation: | -3.01428 |
Coulombic: | -30.7435 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.214 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.32 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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