N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide

C19H20BrN3O4 — CID 51061179

IUPACN'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCCCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H20BrN3O4/c1-3-10-27-17-9-4-14(20)11-13(17)12-21-23-19(25)18(24)22-15-5-7-16(26-2)8-6-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)(H,23,25)/b21-12+
InChIKeyIXFXPCXCWHXTTM-CIAFOILYSA-N
MW434.29 g/mol
LogP3.34
Rot. Bonds7

About N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide

N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide (PubChem CID 51061179) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
PubChem CID51061179
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC NameN'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCCCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H20BrN3O4/c1-3-10-27-17-9-4-14(20)11-13(17)12-21-23-19(25)18(24)22-15-5-7-16(26-2)8-6-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)(H,23,25)/b21-12+
InChIKeyIXFXPCXCWHXTTM-CIAFOILYSA-N
XLogP3.34
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.34
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4591503
N'-[(Z)-(5-chloro-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8988867
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51060784
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8988874
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
CID 3836133
N'-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4092508
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8988871
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 3863592
[2-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 4-methoxybenzoate
CID 3265252
(E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 7927635
N'-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6266636
N'-[(Z)-[5-bromo-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126263711

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide (CID 51061179) is N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide is CCCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
The InChIKey is IXFXPCXCWHXTTM-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-3-10-27-17-9-4-14(20)11-13(17)12-21-23-19(25)18(24)22-15-5-7-16(26-2)8-6-15/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)(H,23,25)/b21-12+.
What are the key properties of N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide?
N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide has a molecular weight of 434.29 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 51061179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).