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Chemical ID: 6344228
Chemical ID:
6344228
Name [?]:
N-(3,5-dimethylphenyl)-3-fluoro-benzamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)c2cccc(c2)F)C
InChi [?]:
InChI=1/C15H14FNO/c1-10-6-11(2)8-14(7-10)17-15(18)12-4-3-5-13(16)9-12/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,13,12,14,3,7,5,16,2,4,11,15,6,9,17,8,10/E:(1,2)(7,8)(10,11)/rA:18nCCCCCCCNCOCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04642 |
Area: | 428.283 |
Solvation: | -2.66066 |
Coulombic: | -26.0708 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 243.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.03 |
LogP (Chemaxon): | 4.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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