N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide

C16H15BrN2O3 — CID 1204500

IUPACN-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C16H15BrN2O3/c1-10(20)19-14-5-4-13(22-2)8-15(14)18-9-11-7-12(17)3-6-16(11)21/h3-9,21H,1-2H3,(H,19,20)/b18-9+
InChIKeyMTJZPTXRXMGQHW-GIJQJNRQSA-N
MW363.21 g/mol
LogP3.87
Rot. Bonds4

About N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide

N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide (PubChem CID 1204500) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide
PubChem CID1204500
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C16H15BrN2O3/c1-10(20)19-14-5-4-13(22-2)8-15(14)18-9-11-7-12(17)3-6-16(11)21/h3-9,21H,1-2H3,(H,19,20)/b18-9+
InChIKeyMTJZPTXRXMGQHW-GIJQJNRQSA-N
XLogP3.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.87
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'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 135650786
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464
2-[(E)-[(4-bromophenyl)hydrazinylidene]methyl]-4-methoxyphenol
CID 135606976
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
2-[(2-fluoro-5-methylphenyl)iminomethyl]-4-methoxyphenol
CID 135595645
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl] 3-(4-bromophenyl)-3-oxopropanoate
CID 135906566
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 135684236
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide (CID 1204500) is N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)c(/N=C/c2cc(Br)ccc2O)c1.
What is the InChIKey of N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide?
The InChIKey is MTJZPTXRXMGQHW-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-10(20)19-14-5-4-13(22-2)8-15(14)18-9-11-7-12(17)3-6-16(11)21/h3-9,21H,1-2H3,(H,19,20)/b18-9+.
What are the key properties of N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide?
N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide has a molecular weight of 363.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 1204500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).