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Chemical ID: 6366999
Chemical ID:
6366999
Name [?]:
2-fluoro-N,N-disec-butyl-benzamide
SMILES [?]:
CCC(C)N(C(C)CC)C(=O)c1ccccc1F
InChi [?]:
InChI=1/C15H22FNO/c1-5-11(3)17(12(4)6-2)15(18)13-9-7-8-10-14(13)16/h7-12H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,4,7,2,8,14,15,13,16,3,6,12,17,10,18,5,11/E:(1,2)(3,4)(5,6)(11,12)/rA:18cCCCCNCCCCCOCCCCCCF/rB:s1;s2;s3;s3;s5;s6;s6;s8;s5;d10;s10;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22FNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.32449 |
Area: | 402.378 |
Solvation: | -2.73498 |
Coulombic: | -22.4343 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 251.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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