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Chemical ID: 5640167
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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