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Chemical ID: 4680724
Chemical ID:
4680724
Name [?]:
2-fluoro-N-(2-oxoazepan-3-yl)-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NC2CCCCNC2=O)F
InChi [?]:
InChI=1/C13H15FN2O2/c14-10-6-2-1-5-9(10)12(17)16-11-7-3-4-8-15-13(11)18/h1-2,5-6,11H,3-4,7-8H2,(H,15,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,6,3,11,14,5,4,10,7,16,18,15,9,8,17/rA:18cCCCCCCCONCCCCCNCOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s10s15;d16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15FN2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.12789 |
Area: | 416.17 |
Solvation: | -4.27637 |
Coulombic: | -46.2706 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 250.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.16 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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