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Chemical ID: 4681009
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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