Chemical ID: 4681009

CC(C)C(CO)NC(=O)c1ccccc1F
Chemical ID:
4681009
Name [?]:
2-fluoro-N-[1-(hydroxymethyl)-2-methyl-propyl]-benzamide
SMILES [?]:
CC(C)C(CO)NC(=O)c1ccccc1F
InChi [?]:
InChI=1/C12H16FNO2/c1-8(2)11(7-15)14-12(16)9-5-3-4-6-10(9)13/h3-6,8,11,15H,7H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,11,14,5,2,10,15,4,8,16,7,6,9/E:(1,2)/rA:16cCCCCCONCOCCCCCCF/rB:s1;s2;s2;s4;s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16FNO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.2947
Area:401.557
Solvation:-3.74423
Coulombic:-42.8748
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.259
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.99
LogP (Chemaxon):1.93

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