N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide

C16H14BrN3O3 — CID 45054889

IUPACN'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-23-13-8-6-12(7-9-13)19-15(21)16(22)20-18-10-11-4-2-3-5-14(11)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyWVURLCODLZQRAB-VCHYOVAHSA-N
MW376.21 g/mol
LogP2.55
Rot. Bonds4

About N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide

N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide (PubChem CID 45054889) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
PubChem CID45054889
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC NameN'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-23-13-8-6-12(7-9-13)19-15(21)16(22)20-18-10-11-4-2-3-5-14(11)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyWVURLCODLZQRAB-VCHYOVAHSA-N
XLogP2.55
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.55
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

4-bromobenzaldehyde O-{[(4-methoxyphenyl)amino]carbonyl}oxime
CID 5723556
N'-{2-[(3-bromobenzyl)oxy]benzylidene}-2-(2-toluidino)propanohydrazide
CID 9620252
N'-{2-[(4-bromobenzyl)oxy]benzylidene}-2-(4-methoxyanilino)propanohydrazide
CID 9654062
N'-[(1E)-(5-bromo-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]propanohydrazide
CID 46498191
N-[(1E)-2-(2-fluorophenyl)-1-azavinyl]-N'-(4-ethoxyphenyl)ethane-1,2-diamide
CID 9591770
N-[(E)-cyclohexylmethylideneamino]-2-(4-methoxyanilino)acetamide
CID 9653270
2-(4-methoxyanilino)-N-[(E)-2-phenylpropylideneamino]acetamide
CID 9669646
N-(4-bromophenyl)-5-[(2E)-2-(3-methoxybenzylidene)hydrazinyl]-5-oxopentanamide
CID 9595442
2-(2-(2,5-Dimethoxybenzylidene)hydrazino)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5340828
2-[(4-methoxyphenyl)amino]-N'-[(1E,2Z)-3-phenylprop-2-enylidene]acetohydrazide
CID 5285026
N-(4-bromophenyl)-4-[(2E)-2-(3-methoxybenzylidene)hydrazino]-4-oxobutanamide
CID 9641182
2-[(4-ethoxyphenyl)amino]-N'-[(1E,2E)-3-phenylprop-2-enylidene]acetohydrazide
CID 9657907

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide (CID 45054889) is N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1.
What is the InChIKey of N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The InChIKey is WVURLCODLZQRAB-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-23-13-8-6-12(7-9-13)19-15(21)16(22)20-18-10-11-4-2-3-5-14(11)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide has a molecular weight of 376.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 45054889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).