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Chemical ID: 4545864
Chemical ID:
4545864
Name [?]:
N-(3-acetylphenyl)-1-(2,4-dichlorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
CC(=O)c1cccc(c1)NC(=O)C2CCN(CC2)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H20Cl2N2O3/c1-13(26)15-3-2-4-17(11-15)24-20(27)14-7-9-25(10-8-14)21(28)18-6-5-16(22)12-19(18)23/h2-6,11-12,14H,7-10H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,23,22,14,18,15,17,9,25,2,13,4,24,8,21,26,11,19,28,27,10,16,3,12,20/E:(7,8)(9,10)/rA:28nCCOCCCCCCNCOCCCNCCCOCCCCCCClCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20Cl2N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.922 |
Area: | 630.953 |
Solvation: | -4.8518 |
Coulombic: | -44.7125 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 419.301 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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