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Chemical ID: 6396563
Chemical ID:
6396563
Name [?]:
3-fluoro-N-(m-tolyl)benzamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C14H12FNO/c1-10-4-2-7-13(8-10)16-14(17)11-5-3-6-12(15)9-11/h2-9H,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,13,3,12,14,5,7,16,2,11,15,6,9,17,8,10/rA:17nCCCCCCCNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12FNO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.50838 |
Area: | 406.34 |
Solvation: | -2.65013 |
Coulombic: | -26.2911 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 229.25 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.59 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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