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Chemical ID: 6740677
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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