N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide

C16H15BrN2O2 — CID 913370

IUPACN-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H15BrN2O2/c1-11(20)19(2)15-6-4-14(5-7-15)18-10-12-9-13(17)3-8-16(12)21/h3-10,21H,1-2H3/b18-10+
InChIKeyACJLYGYJJNIQHE-VCHYOVAHSA-N
MW347.21 g/mol
LogP3.89
Rot. Bonds3

About N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide

N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide (PubChem CID 913370) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
PubChem CID913370
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C16H15BrN2O2/c1-11(20)19(2)15-6-4-14(5-7-15)18-10-12-9-13(17)3-8-16(12)21/h3-10,21H,1-2H3/b18-10+
InChIKeyACJLYGYJJNIQHE-VCHYOVAHSA-N
XLogP3.89
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-bromophenyl)methylideneamino]phenyl]-N-methylacetamide
CID 708152
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
2-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]acetonitrile
CID 2796509
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
4-bromo-2-[[4-[4-[(2-fluorophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 135986923
4-bromo-2-[(3-ethylphenyl)iminomethyl]phenol
CID 135657383
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide (CID 913370) is N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide?
The InChIKey is ACJLYGYJJNIQHE-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11(20)19(2)15-6-4-14(5-7-15)18-10-12-9-13(17)3-8-16(12)21/h3-10,21H,1-2H3/b18-10+.
What are the key properties of N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide?
N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide has a molecular weight of 347.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 913370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).