N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

C16H14BrN3O4 — CID 135541694

IUPACN-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C16H14BrN3O4/c1-24-14-8-10(2-7-13(14)21)9-18-20-16(23)15(22)19-12-5-3-11(17)4-6-12/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKeyZOBCGXWNAPBNSX-GIJQJNRQSA-N
MW392.21 g/mol
LogP2.25
Rot. Bonds4

About N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide

N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (PubChem CID 135541694) has the molecular formula C16H14BrN3O4 and a molecular weight of 392.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
PubChem CID135541694
Molecular FormulaC16H14BrN3O4
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC NameN-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C16H14BrN3O4/c1-24-14-8-10(2-7-13(14)21)9-18-20-16(23)15(22)19-12-5-3-11(17)4-6-12/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+
InChIKeyZOBCGXWNAPBNSX-GIJQJNRQSA-N
XLogP2.25
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-Bromophenyl)-4-(2-(4-HO-3-methoxybenzylidene)hydrazino)-4-oxobutanamide
CID 135684939
p-Anisaldehyde, 3-hydroxy-, (p-bromophenyl)hydrazone
CID 9570449
(E)-3-(2-(4-Hydroxy-3-methoxybenzylidene)hydrazinyl)quinoxalin-2(1H)-one
CID 135439684
3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-methylphenyl)propanamide
CID 135439767
N-(4-bromophenyl)-5-[(2E)-2-(3-methoxybenzylidene)hydrazinyl]-5-oxopentanamide
CID 9595442
N-(4-bromophenyl)-4-[(2E)-2-(3-methoxybenzylidene)hydrazino]-4-oxobutanamide
CID 9641182
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135678705
1-Piperazineacetic acid, 4-phenyl-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588025
1-Piperazineacetic acid, 4-phenyl-, ((3-bromo-5-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588026
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588031
1-Piperazineacetic acid, 4-(2-methylphenyl)-, ((3-bromo-5-hydroxy-4-methoxyphenyl)methylene) hydrazide
CID 9588032
1-Piperazineacetic acid, 4-(3-methylphenyl)-, ((3-hydroxy-4-methoxyphenyl)methylene)hydrazide
CID 9588037

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide (CID 135541694) is N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1O.
What is the InChIKey of N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is ZOBCGXWNAPBNSX-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrN3O4/c1-24-14-8-10(2-7-13(14)21)9-18-20-16(23)15(22)19-12-5-3-11(17)4-6-12/h2-9,21H,1H3,(H,19,22)(H,20,23)/b18-9+.
What are the key properties of N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide?
N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 392.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135541694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).