Chemical ID: 7485694

CC1CCN(CC1)C(=O)c2ccccc2NC(=O)c3ccccc3Br
Chemical ID:
7485694
Name [?]:
2-bromo-N-[2-[(4-methyl-1-piperidyl)carbonyl]phenyl]-benzamide
SMILES [?]:
CC1CCN(CC1)C(=O)c2ccccc2NC(=O)c3ccccc3Br
InChi [?]:
InChI=1/C20H21BrN2O2/c1-14-10-12-23(13-11-14)20(25)16-7-3-5-9-18(16)22-19(24)15-6-2-4-8-17(15)21/h2-9,14H,10-13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,21,12,22,13,20,11,23,14,3,7,4,6,2,19,10,24,15,17,8,25,16,5,18,9/E:(10,11)(12,13)/rA:25nCCCCNCCCOCCCCCCNCOCCCCCCBr/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21BrN2O2
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4552
Area:547.087
Solvation:-2.22197
Coulombic:-41.3107
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.297
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.14
LogP (Chemaxon):4.74

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