N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide

C17H18BrN3O4 — CID 3675951

IUPACN-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NN=Cc1cc(O)c(OC)c(Br)c1
InChIInChI=1S/C17H18BrN3O4/c1-24-15-6-4-3-5-13(15)19-10-16(23)21-20-9-11-7-12(18)17(25-2)14(22)8-11/h3-9,19,22H,10H2,1-2H3,(H,21,23)
InChIKeyBMJMVEPTURUWFJ-UHFFFAOYSA-N
MW408.25 g/mol
LogP2.73
Rot. Bonds7

About N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide

N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 3675951) has the molecular formula C17H18BrN3O4 and a molecular weight of 408.25 g/mol. Its IUPAC name is N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID3675951
Molecular FormulaC17H18BrN3O4
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC NameN-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NN=Cc1cc(O)c(OC)c(Br)c1
InChIInChI=1S/C17H18BrN3O4/c1-24-15-6-4-3-5-13(15)19-10-16(23)21-20-9-11-7-12(18)17(25-2)14(22)8-11/h3-9,19,22H,10H2,1-2H3,(H,21,23)
InChIKeyBMJMVEPTURUWFJ-UHFFFAOYSA-N
XLogP2.73
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 4991681
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 7933428
N-[(Z)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-iodo-3-methylanilino)acetamide
CID 5498614
N'-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 4555276
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 135606237
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
N'-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3985919
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3623426

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide (CID 3675951) is N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)NN=Cc1cc(O)c(OC)c(Br)c1.
What is the InChIKey of N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is BMJMVEPTURUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4/c1-24-15-6-4-3-5-13(15)19-10-16(23)21-20-9-11-7-12(18)17(25-2)14(22)8-11/h3-9,19,22H,10H2,1-2H3,(H,21,23).
What are the key properties of N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide?
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 408.25 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 3675951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).