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

C16H14BrN3O3 — CID 5334344

IUPACN'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-23-14-5-3-2-4-13(14)19-15(21)16(22)20-18-10-11-6-8-12(17)9-7-11/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyKWZKQNCYEVTCHE-VCHYOVAHSA-N
MW376.21 g/mol
LogP2.55
Rot. Bonds4

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

N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide (PubChem CID 5334344) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
PubChem CID5334344
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC NameN'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-23-14-5-3-2-4-13(14)19-15(21)16(22)20-18-10-11-6-8-12(17)9-7-11/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyKWZKQNCYEVTCHE-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

N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438
N'-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 94848768
4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 2248354
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526
2-[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 4097734
[4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 3615817
2-ethoxy-5-[(Z)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897566
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 4143510
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 8931569
N'-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94833552
N'-[(Z)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 8932339

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide (CID 5334344) is N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Br)cc1.
What is the InChIKey of N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide?
The InChIKey is KWZKQNCYEVTCHE-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-23-14-5-3-2-4-13(14)19-15(21)16(22)20-18-10-11-6-8-12(17)9-7-11/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide?
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2-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)-(4-bromophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 5334344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).