Chemical ID: 7024598

c1cc(cc(c1)Cl)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)F
Chemical ID:
7024598
Name [?]:
5-(3-chlorophenyl)-4-(4-fluorobenzoyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
c1cc(cc(c1)Cl)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H15ClFNO4/c23-15-4-1-3-14(11-15)19-18(20(26)13-6-8-16(24)9-7-13)21(27)22(28)25(19)12-17-5-2-10-29-17/h1-11,19,27H,12H2
InChi Info:
AuxInfo=1/0/N:1,17,2,6,16,24,28,25,27,18,4,14,23,3,5,26,15,9,8,21,10,11,7,29,13,22,20,12,19/E:(6,7)(8,9)/rA:29cCCCCCCClCCCCONCCCCCOOCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s8s11;s13;s14;d15;s16;d17;s15s18;s10;s9;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClFNO4
All Atoms:44
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.76111
Area:564.494
Solvation:-6.35124
Coulombic:-53.594
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:411.81
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.39
LogP (Chemaxon):3.61

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Descriptor Annotations

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