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Chemical ID: 7292950
Chemical ID:
7292950
Name [?]:
N-[(3-fluorophenyl)carbamoylmethyl]-N-methyl-cyclohexanecarboxamide
SMILES [?]:
CN(CC(=O)Nc1cccc(c1)F)C(=O)C2CCCCC2
InChi [?]:
InChI=1/C16H21FN2O2/c1-19(16(21)12-6-3-2-4-7-12)11-15(20)18-14-9-5-8-13(17)10-14/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,9,17,21,10,8,12,3,16,11,7,4,14,13,6,2,5,15/E:(3,4)(6,7)/rA:21nCNCCONCCCCCCFCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s2;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21FN2O2 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1314 |
Area: | 485.722 |
Solvation: | -4.01165 |
Coulombic: | -40.4296 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.66 |
LogP (Chemaxon): | 2.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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