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Chemical ID: 4392805
Chemical ID:
4392805
Name [?]:
2-(2,4-dichlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)-acetamide
SMILES [?]:
c1cc(ccc1NC(=O)COc2ccc(cc2Cl)Cl)N3CCCC3
InChi [?]:
InChI=1/C18H18Cl2N2O2/c19-13-3-8-17(16(20)11-13)24-12-18(23)21-14-4-6-15(7-5-14)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:22,23,14,1,5,2,4,13,21,24,16,10,15,6,3,17,12,8,19,18,7,20,9,11/E:(1,2)(4,5)(6,7)(9,10)/rA:24nCCCCCCNCOCOCCCCCCClClNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s3;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18Cl2N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61083 |
Area: | 577.248 |
Solvation: | -4.82038 |
Coulombic: | -34.5051 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 365.253 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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