Chemical ID: 4647765

Cc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3ccc(cc3)F)O
Chemical ID:
4647765
Name [?]:
5-(4-fluorophenyl)-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)NC2c3ccc(cc3)F)O
InChi [?]:
InChI=1/C18H14FNO3/c1-10-2-4-12(5-3-10)16(21)14-15(20-18(23)17(14)22)11-6-8-13(19)9-7-11/h2-9,15,22H,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,21,18,20,2,16,5,19,10,15,8,11,12,22,14,9,23,13/E:(2,3)(4,5)(6,7)(8,9)/rA:23cCCCCCCCCOCCCONCCCCCCCFO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14FNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.78426
Area:493.927
Solvation:-4.56392
Coulombic:-51.7
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.307
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.65
LogP (Chemaxon):2.58

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