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

C16H14BrN3O3 — CID 5334590

IUPACN-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-23-14-5-3-2-4-11(14)10-18-20-16(22)15(21)19-13-8-6-12(17)7-9-13/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyDDCAGJARVDYLSE-VCHYOVAHSA-N
MW376.21 g/mol
LogP2.55
Rot. Bonds4

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

N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide (PubChem CID 5334590) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide
PubChem CID5334590
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC NameN-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-23-14-5-3-2-4-11(14)10-18-20-16(22)15(21)19-13-8-6-12(17)7-9-13/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyDDCAGJARVDYLSE-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide (CID 5334590) is N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide is COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is DDCAGJARVDYLSE-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-23-14-5-3-2-4-11(14)10-18-20-16(22)15(21)19-13-8-6-12(17)7-9-13/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide?
N-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]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-(4-bromophenyl)-N'-[(E)-(2-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 5334590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).