Chemical ID: 4355182

c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccc(cc3)Cl)c4ccccc4F
Chemical ID:
4355182
Name [?]:
1-benzyl-4-(4-chlorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccc(cc3)Cl)c4ccccc4F
InChi [?]:
InChI=1/C24H17ClFNO3/c25-17-12-10-16(11-13-17)22(28)20-21(18-8-4-5-9-19(18)26)27(24(30)23(20)29)14-15-6-2-1-3-7-15/h1-13,21,29H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,26,27,3,5,25,28,18,22,19,21,7,4,17,20,24,29,10,9,15,11,12,23,30,8,16,14,13/E:(2,3)(6,7)(10,11)(12,13)/rA:30cCCCCCCCNCCCCOOCOCCCCCCClCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s20;s9;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17ClFNO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.57794
Area:579.645
Solvation:-4.91317
Coulombic:-49.2187
Bond Count [?]
All:33
Single:21
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.848
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.69
LogP (Chemaxon):4.66

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Descriptor Annotations

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