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Chemical ID: 5623464
Chemical ID:
5623464
Name [?]:
N-(3-fluorophenyl)-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)F
InChi [?]:
InChI=1/C17H18FNO/c1-17(2,3)13-9-7-12(8-10-13)16(20)19-15-6-4-5-14(18)11-15/h4-11H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,15,7,9,6,10,19,8,5,18,14,11,2,20,13,12/E:(1,2,3)(7,8)(9,10)/rA:20nCCCCCCCCCCCONCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17376 |
Area: | 466.754 |
Solvation: | -2.49509 |
Coulombic: | -27.5942 |
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: | 4.97 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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