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Chemical ID: 4422378
Chemical ID:
4422378
Name [?]:
N-(3-chloro-4-methyl-phenyl)-5-(2-phenylacetyl)amino-2-(1-piperidyl)benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2cc(ccc2N3CCCCC3)NC(=O)Cc4ccccc4
InChi [?]:
InChI=1/C27H28ClN3O2/c1-19-10-11-22(18-24(19)28)30-27(33)23-17-21(12-13-25(23)31-14-6-3-7-15-31)29-26(32)16-20-8-4-2-5-9-20/h2,4-5,8-13,17-18H,3,6-7,14-16H2,1H3,(H,29,32)(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,31,21,30,32,20,22,29,33,3,4,15,16,19,23,27,13,6,2,28,14,5,12,7,17,25,10,8,24,9,18,26,11/E:(4,5)(6,7)(8,9)(14,15)/rA:33nCCCCCCCClNCOCCCCCCNCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s21;s18s22;s14;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H28ClN3O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1002 |
Area: | 705.913 |
Solvation: | -4.54766 |
Coulombic: | -48.2316 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 461.983 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.7 |
LogP (Chemaxon): | 6.24 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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