Chemical ID: 4333385

c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccccc3)c4ccccc4F
Chemical ID:
4333385
Name [?]:
4-benzoyl-1-benzyl-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccccc3)c4ccccc4F
InChi [?]:
InChI=1/C24H18FNO3/c25-19-14-8-7-13-18(19)21-20(22(27)17-11-5-2-6-12-17)23(28)24(29)26(21)15-16-9-3-1-4-10-16/h1-14,21,28H,15H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,25,26,3,5,18,22,24,27,7,4,17,23,28,10,9,15,11,12,29,8,16,14,13/E:(3,4)(5,6)(9,10)(11,12)/rA:29cCCCCCCCNCCCCOOCOCCCCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s9;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18FNO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.80314
Area:544.283
Solvation:-4.80394
Coulombic:-49.3796
Bond Count [?]
All:32
Single:20
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:387.403
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.07
LogP (Chemaxon):4.14

Name Annotations

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Descriptor Annotations

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