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Chemical ID: 4756979
Chemical ID:
4756979
Name [?]:
N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
SMILES [?]:
c1cc(ccc1CN2CC(CC2=O)C(=O)Nc3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C18H16ClFN2O2/c19-14-3-7-16(8-4-14)21-18(24)13-9-17(23)22(11-13)10-12-1-5-15(20)6-2-12/h1-8,13H,9-11H2,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,5,19,21,2,4,18,22,11,7,9,6,10,20,3,17,12,14,23,24,16,8,13,15/E:(1,2)(3,4)(5,6)(7,8)/rA:24cCCCCCCCNCCCCOCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;d12;s10;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClFN2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.37012 |
Area: | 546.027 |
Solvation: | -4.28055 |
Coulombic: | -39.8814 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.783 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.73 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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