N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide

C19H20BrN3O3 — CID 8988874

IUPACN'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
SMILESCCCOc1ccc(Br)cc1/C=N\NC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C19H20BrN3O3/c1-3-9-26-17-8-7-15(20)11-14(17)12-21-23-19(25)18(24)22-16-6-4-5-13(2)10-16/h4-8,10-12H,3,9H2,1-2H3,(H,22,24)(H,23,25)/b21-12-
InChIKeyJGDPBQNQUMLMEV-MTJSOVHGSA-N
MW418.29 g/mol
LogP3.64
Rot. Bonds6

About N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide

N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide (PubChem CID 8988874) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
PubChem CID8988874
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC NameN'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
SMILESCCCOc1ccc(Br)cc1/C=N\NC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C19H20BrN3O3/c1-3-9-26-17-8-7-15(20)11-14(17)12-21-23-19(25)18(24)22-16-6-4-5-13(2)10-16/h4-8,10-12H,3,9H2,1-2H3,(H,22,24)(H,23,25)/b21-12-
InChIKeyJGDPBQNQUMLMEV-MTJSOVHGSA-N
XLogP3.64
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.64
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'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061179
[4-bromo-2-[(E)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 45055123
N-(3-methylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988901
N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide
CID 8988880
N'-[(Z)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8989239
ethyl N-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]carbamate
CID 9076112
N'-[(Z)-[5-bromo-2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-butoxyphenyl)oxamide
CID 126169805
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
[4-bromo-2-[[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3856790
N'-[(5-bromo-2-butoxyphenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 3508807
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8988884

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide (CID 8988874) is N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide is CCCOc1ccc(Br)cc1/C=N\NC(=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide?
The InChIKey is JGDPBQNQUMLMEV-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-3-9-26-17-8-7-15(20)11-14(17)12-21-23-19(25)18(24)22-16-6-4-5-13(2)10-16/h4-8,10-12H,3,9H2,1-2H3,(H,22,24)(H,23,25)/b21-12-.
What are the key properties of N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide?
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide has a molecular weight of 418.29 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 8988874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).