Chemical ID: 7277812

c1cc(c(cc1Br)F)NC(=O)CN2CCCCCC2
Chemical ID:
7277812
Name [?]:
2-azepan-1-yl-N-(4-bromo-2-fluoro-phenyl)-acetamide
SMILES [?]:
c1cc(c(cc1Br)F)NC(=O)CN2CCCCCC2
InChi [?]:
InChI=1/C14H18BrFN2O/c15-11-5-6-13(12(16)9-11)17-14(19)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,1,2,14,19,5,12,6,4,3,10,7,8,9,13,11/E:(1,2)(3,4)(7,8)/rA:19nCCCCCCBrFNCOCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18BrFN2O
All Atoms:37
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.56489
Area:455.653
Solvation:-2.82643
Coulombic:-30.0135
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.208
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):2.64

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