N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide

C24H21BrFN3O3 — CID 19659738

IUPACN-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C24H21BrFN3O3/c1-15-5-3-4-6-18(15)14-32-20-10-7-17(8-11-20)16(2)28-29-24(31)23(30)27-22-12-9-19(25)13-21(22)26/h3-13H,14H2,1-2H3,(H,27,30)(H,29,31)/b28-16+
InChIKeyXZAROXGZEJHSRU-LQKURTRISA-N
MW498.35 g/mol
LogP4.95
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide

N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide (PubChem CID 19659738) has the molecular formula C24H21BrFN3O3 and a molecular weight of 498.35 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
PubChem CID19659738
Molecular FormulaC24H21BrFN3O3
Molecular Weight498.35 g/mol
Exact Mass497.08
IUPAC NameN-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C24H21BrFN3O3/c1-15-5-3-4-6-18(15)14-32-20-10-7-17(8-11-20)16(2)28-29-24(31)23(30)27-22-12-9-19(25)13-21(22)26/h3-13H,14H2,1-2H3,(H,27,30)(H,29,31)/b28-16+
InChIKeyXZAROXGZEJHSRU-LQKURTRISA-N
XLogP4.95
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.35
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19660675
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658779
N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
CID 19660575
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658302
N-(4-bromo-2-fluorophenyl)-N'-(1-pyridin-4-ylethylideneamino)oxamide
CID 3252551
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19660559
N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659382
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-(4-pyrrol-1-ylphenyl)ethylideneamino]oxamide
CID 19659135
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
N-(3-chloro-2-methylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5105677
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3618515

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide (CID 19659738) is N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1F)c1ccc(OCc2ccccc2C)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide?
The InChIKey is XZAROXGZEJHSRU-LQKURTRISA-N. The full InChI is InChI=1S/C24H21BrFN3O3/c1-15-5-3-4-6-18(15)14-32-20-10-7-17(8-11-20)16(2)28-29-24(31)23(30)27-22-12-9-19(25)13-21(22)26/h3-13H,14H2,1-2H3,(H,27,30)(H,29,31)/b28-16+.
What are the key properties of N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide?
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide has a molecular weight of 498.35 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19659738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).