2RF

3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione

Created:	2014-01-13
Last modified:	2014-03-05

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1 entries where 2RF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of 2RF

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Chemical Component Summary
Name	3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione
Systematic Name (OpenEye OEToolkits)	3-[(3-chloranyl-4-oxidanyl-phenyl)amino]-4-(3-chlorophenyl)pyrrole-2,5-dione
Formula	C₁₆ H₁₀ Cl₂ N₂ O₃
Molecular Weight	349.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2C(Nc1cc(Cl)c(O)cc1)=C(C(=O)N2)c3cccc(Cl)c3
SMILES	CACTVS	3.385	Oc1ccc(NC2=C(C(=O)NC2=O)c3cccc(Cl)c3)cc1Cl
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(NC2=C(C(=O)NC2=O)c3cccc(Cl)c3)cc1Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O
InChI	InChI	1.03	InChI=1S/C16H10Cl2N2O3/c17-9-3-1-2-8(6-9)13-14(16(23)20-15(13)22)19-10-4-5-12(21)11(18)7-10/h1-7,21H,(H2,19,20,22,23)
InChIKey	InChI	1.03	YYGKSMKAYKZSBC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6539478
ChEMBL	CHEMBL160333

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