Chemical ID: 6590545

Cc1ccc(c(c1)Br)NC(=O)C2CCC2
Chemical ID:
6590545
Name [?]:
N-(2-bromo-4-methyl-phenyl)cyclobutanecarboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)C2CCC2
InChi [?]:
InChI=1/C12H14BrNO/c1-8-5-6-11(10(13)7-8)14-12(15)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,3,4,7,2,12,6,5,10,8,9,11/E:(3,4)/rA:15nCCCCCCCBrNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s12s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14BrNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.55487
Area:399.975
Solvation:-1.44452
Coulombic:-21.4843
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.15
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):3.06

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