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Chemical ID: 4238128
Chemical ID:
4238128
Name [?]:
2-fluoro-N-(2-tert-butylphenyl)-benzamide
SMILES [?]:
CC(C)(C)c1ccccc1NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C17H18FNO/c1-17(2,3)13-9-5-7-11-15(13)19-16(20)12-8-4-6-10-14(12)18/h4-11H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,7,17,8,15,6,18,9,14,5,19,10,12,2,20,11,13/E:(1,2,3)/rA:20nCCCCCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04019 |
Area: | 443.51 |
Solvation: | -3.04756 |
Coulombic: | -26.84 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 271.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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