Chemical ID: 4825194

c1ccc(c(c1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)Cl)F
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

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