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Chemical ID: 7485694
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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