N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide

C16H15BrN2O3 — CID 135536260

IUPACN-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1cc(Br)cc(/C=N/NC(=O)Cc2ccccc2)c1O
InChIInChI=1S/C16H15BrN2O3/c1-22-14-9-13(17)8-12(16(14)21)10-18-19-15(20)7-11-5-3-2-4-6-11/h2-6,8-10,21H,7H2,1H3,(H,19,20)/b18-10+
InChIKeyDFEGEZBMCZQZCV-VCHYOVAHSA-N
MW363.21 g/mol
LogP2.86
Rot. Bonds5

About N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135536260) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID135536260
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESCOc1cc(Br)cc(/C=N/NC(=O)Cc2ccccc2)c1O
InChIInChI=1S/C16H15BrN2O3/c1-22-14-9-13(17)8-12(16(14)21)10-18-19-15(20)7-11-5-3-2-4-6-11/h2-6,8-10,21H,7H2,1H3,(H,19,20)/b18-10+
InChIKeyDFEGEZBMCZQZCV-VCHYOVAHSA-N
XLogP2.86
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide (CID 135536260) is N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide is COc1cc(Br)cc(/C=N/NC(=O)Cc2ccccc2)c1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is DFEGEZBMCZQZCV-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-22-14-9-13(17)8-12(16(14)21)10-18-19-15(20)7-11-5-3-2-4-6-11/h2-6,8-10,21H,7H2,1H3,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 363.21 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135536260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).