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Chemical ID: 5530303
Chemical ID:
5530303
Name [?]:
1-benzyl-N-(4-bromo-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)C2CC(=O)N(C2)Cc3ccccc3)Br
InChi [?]:
InChI=1/C19H19BrN2O2/c1-13-9-16(20)7-8-17(13)21-19(24)15-10-18(23)22(12-15)11-14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,5,6,3,12,17,16,2,18,11,4,7,13,9,24,8,15,14,10/E:(3,4)(5,6)/rA:24cCCCCCCCNCOCCCONCCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19BrN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4422 |
Area: | 550.549 |
Solvation: | -3.32149 |
Coulombic: | -36.5784 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 387.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.97 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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