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Chemical ID: 4198856
Chemical ID:
4198856
Name [?]:
N-(2-fluoro-5-nitro-phenyl)pentanamide
SMILES [?]:
CCCCC(=O)Nc1cc(ccc1F)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H13FN2O3/c1-2-3-4-11(15)13-10-7-8(14(16)17)5-6-9(10)12/h5-7H,2-4H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,11,12,9,10,13,8,5,14,7,15,6,16,17/E:(16,17)/CRV:14.5/rA:17nCCCCCONCCCCCCFN+OO-/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s10;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13FN2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.02914 |
Area: | 424.225 |
Solvation: | -7.5765 |
Coulombic: | -34.6973 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 240.231 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.6 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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