Chemical ID: 6740677

CN1C(C(C(=O)C1=O)C(=O)c2ccc(cc2)Cl)c3ccccc3F
Chemical ID:
6740677
Name [?]:
4-(4-chlorobenzoyl)-5-(2-fluorophenyl)-1-methyl-pyrrolidine-2,3-dione
SMILES [?]:
CN1C(C(C(=O)C1=O)C(=O)c2ccc(cc2)Cl)c3ccccc3F
InChi [?]:
InChI=1/C18H13ClFNO3/c1-21-15(12-4-2-3-5-13(12)20)14(17(23)18(21)24)16(22)10-6-8-11(19)9-7-10/h2-9,14-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,12,16,13,15,11,14,18,23,4,3,9,5,7,17,24,2,10,6,8/E:(6,7)(8,9)/rA:24cCNCCCOCOCOCCCCCCClCCCCCCF/rB:s1;s2;s3;s4;d5;s2s5;d7;s4;d9;s9;s11;d12;s13;d14;d11s15;s14;s3;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClFNO3
All Atoms:37
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:7.7704
Area:490.202
Solvation:-4.48464
Coulombic:-38.8623
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:345.752
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):3.65

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