Chemical ID: 5623464

CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)F
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

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Descriptor Annotations

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