Chemical ID: 4238128

CC(C)(C)c1ccccc1NC(=O)c2ccccc2F
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

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Descriptor Annotations

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