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

C18H16BrN3O3 — CID 94847089

IUPACN-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H16BrN3O3/c1-2-11-25-14-9-7-13(8-10-14)12-20-22-18(24)17(23)21-16-6-4-3-5-15(16)19/h2-10,12H,1,11H2,(H,21,23)(H,22,24)/b20-12-
InChIKeyHYBKDEZYUDBUSW-NDENLUEZSA-N
MW402.25 g/mol
LogP3.10
Rot. Bonds6

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

N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (PubChem CID 94847089) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
PubChem CID94847089
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC NameN-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
SMILESC=CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H16BrN3O3/c1-2-11-25-14-9-7-13(8-10-14)12-20-22-18(24)17(23)21-16-6-4-3-5-15(16)19/h2-10,12H,1,11H2,(H,21,23)(H,22,24)/b20-12-
InChIKeyHYBKDEZYUDBUSW-NDENLUEZSA-N
XLogP3.10
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.10
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-N'-[(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4637853
N-(4-prop-2-enoxyphenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989337
N-(2-bromophenyl)-N'-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 94847093
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989336
N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6273720
N-(2-bromophenyl)-N'-[(Z)-[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 6072071
N-propan-2-yl-N'-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6896236
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 5244013
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6153387
N-(2-methylpropyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989326
N-(2-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide (CID 94847089) is N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is C=CCOc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
The InChIKey is HYBKDEZYUDBUSW-NDENLUEZSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-2-11-25-14-9-7-13(8-10-14)12-20-22-18(24)17(23)21-16-6-4-3-5-15(16)19/h2-10,12H,1,11H2,(H,21,23)(H,22,24)/b20-12-.
What are the key properties of N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide?
N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide has a molecular weight of 402.25 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 94847089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).