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Chemical ID: 4382594
Chemical ID:
4382594
Name [?]:
N-(2,4-difluorophenyl)-2-methyl-pentanamide
SMILES [?]:
CCCC(C)C(=O)Nc1ccc(cc1F)F
InChi [?]:
InChI=1/C12H15F2NO/c1-3-4-8(2)12(16)15-11-6-5-9(13)7-10(11)14/h5-8H,3-4H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,3,11,10,13,4,12,14,9,6,16,15,8,7/rA:16cCCCCCCONCCCCCCFF/rB:s1;s2;s3;s4;s4;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15F2NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.21581 |
Area: | 401.675 |
Solvation: | -2.82606 |
Coulombic: | -28.449 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 227.25 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.28 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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