Chemical ID: 4190397

CN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(cc3)Cl
Chemical ID:
4190397
Name [?]:
4-benzoyl-5-(4-chlorophenyl)-3-hydroxy-1-methyl-5H-pyrrol-2-one
SMILES [?]:
CN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H14ClNO3/c1-20-15(11-7-9-13(19)10-8-11)14(17(22)18(20)23)16(21)12-5-3-2-4-6-12/h2-10,15,22H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,18,22,19,21,17,11,20,4,3,9,5,6,23,2,10,8,7/E:(3,4)(5,6)(7,8)(9,10)/rA:23cCNCCCCOOCOCCCCCCCCCCCCCl/rB:s1;s2;s3;d4;s2s5;d6;s5;s4;d9;s9;s11;d12;s13;d14;d11s15;s3;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14ClNO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.32211
Area:516.679
Solvation:-3.59485
Coulombic:-45.0085
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.761
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.82
LogP (Chemaxon):2.74

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