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

C24H22BrN3O3 — CID 19660675

IUPACN-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C24H22BrN3O3/c1-16-5-3-4-6-19(16)15-31-22-13-7-18(8-14-22)17(2)27-28-24(30)23(29)26-21-11-9-20(25)10-12-21/h3-14H,15H2,1-2H3,(H,26,29)(H,28,30)/b27-17+
InChIKeyPQONNRBHZAKQJM-WPWMEQJKSA-N
MW480.36 g/mol
LogP4.82
Rot. Bonds6

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

N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide (PubChem CID 19660675) has the molecular formula C24H22BrN3O3 and a molecular weight of 480.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
PubChem CID19660675
Molecular FormulaC24H22BrN3O3
Molecular Weight480.36 g/mol
Exact Mass479.08
IUPAC NameN-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C24H22BrN3O3/c1-16-5-3-4-6-19(16)15-31-22-13-7-18(8-14-22)17(2)27-28-24(30)23(29)26-21-11-9-20(25)10-12-21/h3-14H,15H2,1-2H3,(H,26,29)(H,28,30)/b27-17+
InChIKeyPQONNRBHZAKQJM-WPWMEQJKSA-N
XLogP4.82
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 54.82
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-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659738
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
N-(4-carbamoylphenyl)-N'-[1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 3523967
N-(4-ethoxyphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135554232
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658779
N-(4-bromophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 3676741
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030
N-[1-[4-[(2-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 74598649
N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658302
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
CID 19660575

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide (CID 19660675) is N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2C)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide?
The InChIKey is PQONNRBHZAKQJM-WPWMEQJKSA-N. The full InChI is InChI=1S/C24H22BrN3O3/c1-16-5-3-4-6-19(16)15-31-22-13-7-18(8-14-22)17(2)27-28-24(30)23(29)26-21-11-9-20(25)10-12-21/h3-14H,15H2,1-2H3,(H,26,29)(H,28,30)/b27-17+.
What are the key properties of N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide?
N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide has a molecular weight of 480.36 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19660675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).