Chemical ID: 7325803

CC(C)C(C(=O)NCCc1ccc(cc1)F)NC(=O)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue