Chemical ID: 5976135

CN(C)c1ccc(cc1C(=O)N2CCCC2)NC(=O)c3ccccc3Br
Chemical ID:
5976135
Name [?]:
2-bromo-N-(4-dimethylamino-3-pyrrolidin-1-ylcarbonyl-phenyl)-benzamide
SMILES [?]:
CN(C)c1ccc(cc1C(=O)N2CCCC2)NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C20H22BrN3O2/c1-23(2)18-10-9-14(13-16(18)20(26)24-11-5-6-12-24)22-19(25)15-7-3-4-8-17(15)21/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,14,15,21,24,6,5,13,16,8,7,20,9,25,4,18,10,26,17,2,12,19,11/E:(1,2)(5,6)(11,12)/rA:26nCNCCCCCCCCONCCCCNCOCCCCCCBr/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;s12s15;s7;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22BrN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2528
Area:570.563
Solvation:-4.0113
Coulombic:-44.284
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.312
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):3.63

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