Chemical ID: 5822123

CC(C)c1ccc(cc1)NC(=O)c2ccc(cc2)F
Chemical ID:
5822123
Name [?]:
4-fluoro-N-(4-isopropylphenyl)-benzamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C16H16FNO/c1-11(2)12-5-9-15(10-6-12)18-16(19)13-3-7-14(17)8-4-13/h3-11H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,18,5,9,15,17,6,8,2,4,13,16,7,11,19,10,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCCNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16FNO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.60361
Area:450.127
Solvation:-2.64956
Coulombic:-26.9979
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:257.303
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.56
LogP (Chemaxon):4.44

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