X4O

N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide

Created:	2022-10-27
Last modified:	2023-01-18

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1 entries where X4O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	12

2D diagram of X4O

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Chemical Component Summary
Name	N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-(4-bromophenyl)-2-[2-[(4-fluorophenyl)amino]ethanoylamino]-~{N}-oxidanyl-ethanamide
Formula	C₁₆ H₁₅ Br F N₃ O₃
Molecular Weight	396.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO
SMILES	CACTVS	3.385	ONC(=O)[CH](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br
Canonical SMILES	CACTVS	3.385	ONC(=O)[C@H](NC(=O)CNc1ccc(F)cc1)c2ccc(Br)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1[C@H](C(=O)NO)NC(=O)CNc2ccc(cc2)F)Br
InChI	InChI	1.06	InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1
InChIKey	InChI	1.06	VZOVWNGCSCSUGQ-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	166451142

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