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Chemical ID: 4232782
Chemical ID:
4232782
Name [?]:
1-(4-chlorophenyl)-N-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(oc1)CNC(=O)C2CC(=O)N(C2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H15ClN2O3/c17-12-3-5-13(6-4-12)19-10-11(8-15(19)20)16(21)18-9-14-2-1-7-22-14/h1-7,11H,8-10H2,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,20,17,21,5,11,6,15,10,19,16,3,12,8,22,7,14,13,9,4/E:(3,4)(5,6)/rA:22cCCCOCCNCOCCCONCCCCCCCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;d12;s12;s10s14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89712 |
Area: | 524.835 |
Solvation: | -4.22374 |
Coulombic: | -42.0482 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.755 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.27 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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