Chemical ID: 5640167

CCc1ccc(cc1)C(=O)Nc2ccc(cn2)Br
Chemical ID:
5640167
Name [?]:
N-(5-bromo-2-pyridyl)-4-ethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccc(cn2)Br
InChi [?]:
InChI=1/C14H13BrN2O/c1-2-10-3-5-11(6-4-10)14(18)17-13-8-7-12(15)9-16-13/h3-9H,2H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,14,13,16,3,6,15,12,9,18,17,11,10/E:(3,4)(5,6)/rA:18nCCCCCCCCCONCCCCCNBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13BrN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.55973
Area:452.045
Solvation:-2.74138
Coulombic:-26.5608
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:305.17
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.17
LogP (Chemaxon):4.14

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