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Chemical ID: 5901117
Chemical ID:
5901117
Name [?]:
2-ethyl-N-[(4-fluorophenyl)carbamoylmethyl]hexanamide
SMILES [?]:
CCCCC(CC)C(=O)NCC(=O)Nc1ccc(cc1)F
InChi [?]:
InChI=1/C16H23FN2O2/c1-3-5-6-12(4-2)16(21)18-11-15(20)19-14-9-7-13(17)8-10-14/h7-10,12H,3-6,11H2,1-2H3,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,4,17,19,16,20,11,5,18,15,12,8,21,10,14,13,9/E:(7,8)(9,10)/rA:21cCCCCCCCCONCCONCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23FN2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.7656 |
Area: | 526.373 |
Solvation: | -3.39371 |
Coulombic: | -46.1476 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 294.365 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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