Chemical ID: 6966618

CCN(CC)C(=O)c1ccc(c(c1)Br)OC
Chemical ID:
6966618
Name [?]:
3-bromo-N,N-diethyl-4-methoxy-benzamide
SMILES [?]:
CCN(CC)C(=O)c1ccc(c(c1)Br)OC
InChi [?]:
InChI=1/C12H16BrNO2/c1-4-14(5-2)12(15)9-6-7-11(16-3)10(13)8-9/h6-8H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,16,2,4,9,10,13,8,12,11,6,14,3,7,15/E:(1,2)(4,5)/rA:16nCCNCCCOCCCCCCBrOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;d11;d8s12;s12;s11;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrNO2
All Atoms:32
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.48242
Area:418.187
Solvation:-2.97225
Coulombic:-24.8807
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.165
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.13
LogP (Chemaxon):2.41

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Descriptor Annotations

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