N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide

C22H16BrF2N3O3 — CID 19658350

IUPACN-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C22H16BrF2N3O3/c23-16-5-10-20(19(25)11-16)27-21(29)22(30)28-26-12-14-3-8-18(9-4-14)31-13-15-1-6-17(24)7-2-15/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12+
InChIKeyHNNGDBGPOOZRER-RPPGKUMJSA-N
MW488.29 g/mol
LogP4.40
Rot. Bonds6

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

N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 19658350) has the molecular formula C22H16BrF2N3O3 and a molecular weight of 488.29 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID19658350
Molecular FormulaC22H16BrF2N3O3
Molecular Weight488.29 g/mol
Exact Mass487.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C22H16BrF2N3O3/c23-16-5-10-20(19(25)11-16)27-21(29)22(30)28-26-12-14-3-8-18(9-4-14)31-13-15-1-6-17(24)7-2-15/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12+
InChIKeyHNNGDBGPOOZRER-RPPGKUMJSA-N
XLogP4.40
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.29
LogP ≤ 54.40
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'}

Analyze N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-methylphenyl)-N'-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19660637
N'-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 94848768
N'-[(Z)-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126169567
N'-[(Z)-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126156999
N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 19659894
N-(4-bromo-2-methylphenyl)-N'-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19660735
5-bromo-N-[(Z)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 6160019
N-(4-bromophenyl)-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832756
N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 19660335
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 4107522

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 19658350) is N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is HNNGDBGPOOZRER-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H16BrF2N3O3/c23-16-5-10-20(19(25)11-16)27-21(29)22(30)28-26-12-14-3-8-18(9-4-14)31-13-15-1-6-17(24)7-2-15/h1-12H,13H2,(H,27,29)(H,28,30)/b26-12+.
What are the key properties of N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(4-bromo-2-fluorophenyl)-N'-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 488.29 g/mol, XLogP of 4.40, 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)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19658350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).