Chemical ID: 4680724

c1ccc(c(c1)C(=O)NC2CCCCNC2=O)F
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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