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Chemical ID: 5770257
Chemical ID:
5770257
Name [?]:
2-bromo-N-[2-(1-piperidylcarbonyl)phenyl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCCC2)NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C19H19BrN2O2/c20-16-10-4-2-8-14(16)18(23)21-17-11-5-3-9-15(17)19(24)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-13H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:12,20,1,21,2,11,13,19,6,22,3,10,14,18,5,23,4,16,7,24,15,9,17,8/E:(6,7)(12,13)/rA:24nCCCCCCCONCCCCCNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19BrN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.604 |
Area: | 526.513 |
Solvation: | -2.55886 |
Coulombic: | -40.5626 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 387.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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