Chemical ID: 4352482

C=CCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccccc3F
Chemical ID:
4352482
Name [?]:
1-allyl-4-benzoyl-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
C=CCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccccc3F
InChi [?]:
InChI=1/C20H16FNO3/c1-2-12-22-17(14-10-6-7-11-15(14)21)16(19(24)20(22)25)18(23)13-8-4-3-5-9-13/h2-11,17,24H,1,12H2
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,21,22,14,18,20,23,3,13,19,24,6,5,11,7,8,25,4,12,10,9/E:(4,5)(8,9)/rA:25cCCCNCCCCOOCOCCCCCCCCCCCCF/rB:d1;s2;s3;s4;s5;d6;s4s7;d8;s7;s6;d11;s11;s13;d14;s15;d16;d13s17;s5;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16FNO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.69174
Area:504.69
Solvation:-3.9255
Coulombic:-50.2009
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.344
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.97
LogP (Chemaxon):3.1

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Descriptor Annotations

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