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Chemical ID: 7325803
Chemical ID:
7325803
Name [?]:
2-acetamido-N-[2-(4-fluorophenyl)ethyl]-3-methyl-butanamide
SMILES [?]:
CC(C)C(C(=O)NCCc1ccc(cc1)F)NC(=O)C
InChi [?]:
InChI=1/C15H21FN2O2/c1-10(2)14(18-11(3)19)15(20)17-9-8-12-4-6-13(16)7-5-12/h4-7,10,14H,8-9H2,1-3H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,20,11,15,12,14,9,8,2,18,10,13,4,5,16,7,17,19,6/E:(1,2)(4,5)(6,7)/rA:20cCCCCCONCCCCCCCCFNCOC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s4;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21FN2O2 |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.84316 |
Area: | 494.786 |
Solvation: | -3.52649 |
Coulombic: | -46.3398 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 280.338 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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