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Chemical ID: 7263607
Chemical ID:
7263607
Name [?]:
N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-2-(2-cyanophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)OCC(=O)Nc2cc(ccc2N3CCCC3)Cl
InChi [?]:
InChI=1/C19H18ClN3O2/c20-15-7-8-17(23-9-3-4-10-23)16(11-15)22-19(24)13-25-18-6-2-1-5-14(18)12-21/h1-2,5-8,11H,3-4,9-10,13H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,6,3,17,18,21,24,15,7,10,5,16,14,19,4,11,25,8,13,20,12,9/E:(3,4)(9,10)/rA:25nCCCCCCCNOCCONCCCCCCNCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;s20s23;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18ClN3O2 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62872 |
Area: | 578.308 |
Solvation: | -4.82898 |
Coulombic: | -38.4638 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.818 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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