Chemical ID: 5164507

COc1ccc(cc1OC)C(=O)C2=C(C(=O)NC2c3ccccc3F)O
Chemical ID:
5164507
Name [?]:
4-(3,4-dimethoxybenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C(=O)C2=C(C(=O)NC2c3ccccc3F)O
InChi [?]:
InChI=1/C19H16FNO5/c1-25-13-8-7-10(9-14(13)26-2)17(22)15-16(21-19(24)18(15)23)11-5-3-4-6-12(11)20/h3-9,16,23H,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,23,5,4,7,6,19,24,3,8,13,18,11,14,15,25,17,12,26,16,2,9/rA:26cCOCCCCCCOCCOCCCONCCCCCCCFO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s24;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16FNO5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:5.93389
Area:531.85
Solvation:-7.36237
Coulombic:-64.5854
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.332
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.78
LogP (Chemaxon):1.61

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Descriptor Annotations

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