N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide

C19H18BrN3O4 — CID 94847093

IUPACN-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1OC
InChIInChI=1S/C19H18BrN3O4/c1-3-10-27-16-9-8-13(11-17(16)26-2)12-21-23-19(25)18(24)22-15-7-5-4-6-14(15)20/h3-9,11-12H,1,10H2,2H3,(H,22,24)(H,23,25)/b21-12-
InChIKeyHGGYEHRVVJCFRP-MTJSOVHGSA-N
MW432.27 g/mol
LogP3.11
Rot. Bonds7

About N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide

N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 94847093) has the molecular formula C19H18BrN3O4 and a molecular weight of 432.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID94847093
Molecular FormulaC19H18BrN3O4
Molecular Weight432.27 g/mol
Exact Mass431.05
IUPAC NameN-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1OC
InChIInChI=1S/C19H18BrN3O4/c1-3-10-27-16-9-8-13(11-17(16)26-2)12-21-23-19(25)18(24)22-15-7-5-4-6-14(15)20/h3-9,11-12H,1,10H2,2H3,(H,22,24)(H,23,25)/b21-12-
InChIKeyHGGYEHRVVJCFRP-MTJSOVHGSA-N
XLogP3.11
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 94847089
methyl 2-[4-[[[3-(2-bromoanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 5196442
N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 8989358
N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 4269018
N-(2-bromophenyl)-N'-[(3-bromo-4-prop-2-enoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 4014543
N-(2-chlorophenyl)-N'-[(3,4-dimethoxyphenyl)methylideneamino]oxamide
CID 4992748
ethyl 2-[4-[[[3-(2-bromoanilino)-3-oxopropanoyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3990528
N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19661771
5-bromo-2-methoxy-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6275932
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126170578
N-(3-bromophenyl)-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4605611
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 94847093) is N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1OC.
What is the InChIKey of N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is HGGYEHRVVJCFRP-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H18BrN3O4/c1-3-10-27-16-9-8-13(11-17(16)26-2)12-21-23-19(25)18(24)22-15-7-5-4-6-14(15)20/h3-9,11-12H,1,10H2,2H3,(H,22,24)(H,23,25)/b21-12-.
What are the key properties of N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide?
N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 432.27 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 94847093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).