Chemical ID: 5686906

COc1ccc(c(c1)C(=O)NCC2CCCCC2)Br
Chemical ID:
5686906
Name [?]:
2-bromo-N-(cyclohexylmethyl)-5-methoxy-benzamide
SMILES [?]:
COc1ccc(c(c1)C(=O)NCC2CCCCC2)Br
InChi [?]:
InChI=1/C15H20BrNO2/c1-19-12-7-8-14(16)13(9-12)15(18)17-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,4,5,8,12,13,3,7,6,9,19,11,10,2/E:(3,4)(5,6)/rA:19nCOCCCCCCCONCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20BrNO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.99937
Area:474.049
Solvation:-2.85186
Coulombic:-29.9037
Bond Count [?]
All:20
Single:16
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.229
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.59
LogP (Chemaxon):3.38

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