Chemical ID: 4232782

c1cc(oc1)CNC(=O)C2CC(=O)N(C2)c3ccc(cc3)Cl
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

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