Chemical ID: 4381136

CCCCc1ccc(cc1)C(=O)Nc2ccc(cn2)Br
Chemical ID:
4381136
Name [?]:
N-(5-bromo-2-pyridyl)-4-butyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)Nc2ccc(cn2)Br
InChi [?]:
InChI=1/C16H17BrN2O/c1-2-3-4-12-5-7-13(8-6-12)16(20)19-15-10-9-14(17)11-18-15/h5-11H,2-4H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,10,7,9,16,15,18,5,8,17,14,11,20,19,13,12/E:(5,6)(7,8)/rA:20nCCCCCCCCCCCONCCCCCNBr/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17BrN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.93291
Area:507.418
Solvation:-2.75253
Coulombic:-27.2063
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.223
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.31
LogP (Chemaxon):4.94

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