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Chemical ID: 7276416
Chemical ID:
7276416
Name [?]:
N-(2-bromo-4-methyl-phenyl)quinoline-2-carboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)c2ccc3ccccc3n2
InChi [?]:
InChI=1/C17H13BrN2O/c1-11-6-8-15(13(18)10-11)20-17(21)16-9-7-12-4-2-3-5-14(12)19-16/h2-10H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,3,14,4,13,7,2,15,6,20,5,12,10,8,21,9,11/rA:21nCCCCCCCBrNCOCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13BrN2O |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5509 |
Area: | 482.344 |
Solvation: | -1.50772 |
Coulombic: | -30.6901 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 341.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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