N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide

C17H16BrClN2O3 — CID 110524973

IUPACN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)c(CC(=O)N/N=C/c2cc(Br)ccc2OC)c1
InChIInChI=1S/C17H16BrClN2O3/c1-23-14-4-5-15(19)11(8-14)9-17(22)21-20-10-12-7-13(18)3-6-16(12)24-2/h3-8,10H,9H2,1-2H3,(H,21,22)/b20-10+
InChIKeyBKQLONHBMNWCNN-KEBDBYFISA-N
MW411.68 g/mol
LogP3.81
Rot. Bonds6

About N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide

N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide (PubChem CID 110524973) has the molecular formula C17H16BrClN2O3 and a molecular weight of 411.68 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide
PubChem CID110524973
Molecular FormulaC17H16BrClN2O3
Molecular Weight411.68 g/mol
Exact Mass410.00
IUPAC NameN-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)c(CC(=O)N/N=C/c2cc(Br)ccc2OC)c1
InChIInChI=1S/C17H16BrClN2O3/c1-23-14-4-5-15(19)11(8-14)9-17(22)21-20-10-12-7-13(18)3-6-16(12)24-2/h3-8,10H,9H2,1-2H3,(H,21,22)/b20-10+
InChIKeyBKQLONHBMNWCNN-KEBDBYFISA-N
XLogP3.81
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.68
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136874780
2-(4-chlorophenyl)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6300942
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(5-chloro-2-ethylsulfanylphenyl)acetamide
CID 110525151
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 4175101
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1244687
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19207980
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-chloroanilino)acetamide
CID 4573568
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110524998
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]acetamide
CID 110525009
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 667965
N'-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 4679540
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide (CID 110524973) is N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide is COc1ccc(Cl)c(CC(=O)N/N=C/c2cc(Br)ccc2OC)c1.
What is the InChIKey of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide?
The InChIKey is BKQLONHBMNWCNN-KEBDBYFISA-N. The full InChI is InChI=1S/C17H16BrClN2O3/c1-23-14-4-5-15(19)11(8-14)9-17(22)21-20-10-12-7-13(18)3-6-16(12)24-2/h3-8,10H,9H2,1-2H3,(H,21,22)/b20-10+.
What are the key properties of N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide?
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide has a molecular weight of 411.68 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-chloro-5-methoxyphenyl)acetamide is sourced from PubChem (CID 110524973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).