N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C17H17BrN2O3 — CID 135758398

IUPACN-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/CC(=O)Nc2ccc(Br)cc2C)c1O
InChIInChI=1S/C17H17BrN2O3/c1-11-8-13(18)6-7-14(11)20-16(21)10-19-9-12-4-3-5-15(23-2)17(12)22/h3-9,22H,10H2,1-2H3,(H,20,21)/b19-9+
InChIKeyVQJPICQDEOZZRQ-DJKKODMXSA-N
MW377.24 g/mol
LogP3.53
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135758398) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID135758398
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/CC(=O)Nc2ccc(Br)cc2C)c1O
InChIInChI=1S/C17H17BrN2O3/c1-11-8-13(18)6-7-14(11)20-16(21)10-19-9-12-4-3-5-15(23-2)17(12)22/h3-9,22H,10H2,1-2H3,(H,20,21)/b19-9+
InChIKeyVQJPICQDEOZZRQ-DJKKODMXSA-N
XLogP3.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4068083
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515914
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135717008
2-(2,4-dimethylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136899302
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 5146554
2-(4-bromophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135560371
3-bromo-N-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3871550
N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946965
1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904116
N-(2-bromophenyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4029992
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633
2-amino-N-(4-bromo-2-methylphenyl)-6-methoxybenzamide
CID 81410020

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 135758398) is N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N/CC(=O)Nc2ccc(Br)cc2C)c1O.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is VQJPICQDEOZZRQ-DJKKODMXSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-8-13(18)6-7-14(11)20-16(21)10-19-9-12-4-3-5-15(23-2)17(12)22/h3-9,22H,10H2,1-2H3,(H,20,21)/b19-9+.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 377.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135758398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).