Chemical ID: 5530303

Cc1cc(ccc1NC(=O)C2CC(=O)N(C2)Cc3ccccc3)Br
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue