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Chemical ID: 4279702
Chemical ID:
4279702
Name [?]:
4-fluoro-N,N-diisopropyl-benzamide
SMILES [?]:
CC(C)N(C(C)C)C(=O)c1ccc(cc1)F
InChi [?]:
InChI=1/C13H18FNO/c1-9(2)15(10(3)4)13(16)11-5-7-12(14)8-6-11/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,11,15,12,14,2,5,10,13,8,16,4,9/E:(1,2,3,4)(5,6)(7,8)(9,10)/rA:16nCCCNCCCCOCCCCCCF/rB:s1;s2;s2;s4;s5;s5;s4;d8;s8;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18FNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3891 |
Area: | 389.806 |
Solvation: | -2.35606 |
Coulombic: | -22.1082 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 223.287 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.5 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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