0OI

N-(2-fluorophenyl)-N'-methylurea

Created:	2021-06-14
Last modified:	2021-09-08

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1 entries where 0OI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of 0OI

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Chemical Component Summary
Name	N-(2-fluorophenyl)-N'-methylurea
Systematic Name (OpenEye OEToolkits)	1-(2-fluorophenyl)-3-methyl-urea
Formula	C₈ H₉ F N₂ O
Molecular Weight	168.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccccc1F)NC
SMILES	CACTVS	3.385	CNC(=O)Nc1ccccc1F
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)Nc1ccccc1F
Canonical SMILES	CACTVS	3.385	CNC(=O)Nc1ccccc1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)Nc1ccccc1F
InChI	InChI	1.03	InChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
InChIKey	InChI	1.03	KCHHKGGVOQEHPF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	676515
ChEMBL	CHEMBL1303837

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.