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Chemical ID: 5326594
Chemical ID:
5326594
Name [?]:
2-(3,4-dichlorophenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
SMILES [?]:
CN(C(CN1CCCC1)c2ccccc2)C(=O)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,7,8,11,15,20,21,6,9,24,18,4,19,10,22,23,3,16,26,25,2,5,17/E:(3,4)(5,6)(7,8)(11,12)/rA:26cCNCCNCCCCCCCCCCCOCCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s3;s10;d11;s12;d13;d10s14;s2;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24Cl2N2O |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7921 |
Area: | 606.104 |
Solvation: | -3.36047 |
Coulombic: | -23.5459 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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