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Chemical ID: 6930613
Chemical ID:
6930613
Name [?]:
N-cyclohexyl-N-ethyl-2-fluoro-benzamide
SMILES [?]:
CCN(C1CCCCC1)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C15H20FNO/c1-2-17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)16/h6-7,10-12H,2-5,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,14,15,5,9,13,16,4,12,17,10,18,3,11/E:(4,5)(8,9)/rA:18nCCNCCCCCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s3;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20FNO |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.95494 |
Area: | 419.348 |
Solvation: | -2.52876 |
Coulombic: | -22.5138 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.324 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.98 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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