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Chemical ID: 5852395
Chemical ID:
5852395
Name [?]:
N-[(2-chlorophenyl)methyl]-5-oxo-1-phenyl-pyrrolidine-3-carboxamide
SMILES [?]:
c1ccc(cc1)N2CC(CC2=O)C(=O)NCc3ccccc3Cl
InChi [?]:
InChI=1/C18H17ClN2O2/c19-16-9-5-4-6-13(16)11-20-18(23)14-10-17(22)21(12-14)15-7-2-1-3-8-15/h1-9,14H,10-12H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,18,3,5,21,10,16,8,17,9,4,22,11,13,23,15,7,12,14/E:(2,3)(7,8)/rA:23cCCCCCCNCCCCOCONCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;d11;s9;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0925 |
Area: | 534.494 |
Solvation: | -3.26989 |
Coulombic: | -37.5173 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.793 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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