15X

1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea

Created:	2009-07-14
Last modified:	2011-06-04

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1 entries where 15X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	19

2D diagram of 15X

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Chemical Component Summary
Name	1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea
Systematic Name (OpenEye OEToolkits)	1-[4-[[2-fluoro-4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenyl]urea
Formula	C₂₁ H₁₈ F N₃ O₄
Molecular Weight	395.384
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=N(=O)c3cccc(c1c(F)c(ccc1OC)Cc2ccc(NC(=O)N)cc2)c3
SMILES	CACTVS	3.352	COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1c3cccc(c3)[N](=O)=O
SMILES	OpenEye OEToolkits	1.7.0	COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N
Canonical SMILES	CACTVS	3.352	COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1c3cccc(c3)[N](=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1ccc(c(c1c2cccc(c2)N(=O)=O)F)Cc3ccc(cc3)NC(=O)N
InChI	InChI	1.03	InChI=1S/C21H18FN3O4/c1-29-18-10-7-15(11-13-5-8-16(9-6-13)24-21(23)26)20(22)19(18)14-3-2-4-17(12-14)25(27)28/h2-10,12H,11H2,1H3,(H3,23,24,26)
InChIKey	InChI	1.03	ANIKIUAKBPWSRA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44537809

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