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Chemical ID: 4825194
Chemical ID:
4825194
Name [?]:
4-(4-chlorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydropyrrol-2-one
SMILES [?]:
c1ccc(c(c1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)Cl)F
InChi [?]:
InChI=1/C17H11ClFNO3/c18-10-7-5-9(6-8-10)15(21)13-14(20-17(23)16(13)22)11-3-1-2-4-12(11)19/h1-8,14,22H,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,21,18,20,16,19,5,4,8,7,14,9,10,22,23,12,15,13,11/E:(5,6)(7,8)/rA:23cCCCCCCCCCCONOCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s7s10;s9;s8;d14;s14;s16;d17;s18;d19;d16s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11ClFNO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.44206 |
Area: | 496.876 |
Solvation: | -3.97984 |
Coulombic: | -52.5079 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 331.725 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.84 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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