N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

C24H21BrCl2N2O4 — CID 126190473

IUPACN-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1
InChIInChI=1S/C24H21BrCl2N2O4/c1-15-3-5-16(6-4-15)13-33-24-19(25)9-17(10-22(24)31-2)12-28-29-23(30)14-32-21-8-7-18(26)11-20(21)27/h3-12H,13-14H2,1-2H3,(H,29,30)/b28-12-
InChIKeyFRTVLDJEEPOXSD-NVJOKUIPSA-N
MW552.25 g/mol
LogP6.18
Rot. Bonds9

About N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide

N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 126190473) has the molecular formula C24H21BrCl2N2O4 and a molecular weight of 552.25 g/mol. Its IUPAC name is N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID126190473
Molecular FormulaC24H21BrCl2N2O4
Molecular Weight552.25 g/mol
Exact Mass550.01
IUPAC NameN-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
SMILESCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1
InChIInChI=1S/C24H21BrCl2N2O4/c1-15-3-5-16(6-4-15)13-33-24-19(25)9-17(10-22(24)31-2)12-28-29-23(30)14-32-21-8-7-18(26)11-20(21)27/h3-12H,13-14H2,1-2H3,(H,29,30)/b28-12-
InChIKeyFRTVLDJEEPOXSD-NVJOKUIPSA-N
XLogP6.18
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.25
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3966559
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5448376
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364041
[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]urea
CID 6872768
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944656
2-(2-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190146
N-[2-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 3976369
N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylsulfanylacetamide
CID 126191692
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126367833
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
N'-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)butanediamide
CID 4309242
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19183354

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide (CID 126190473) is N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is COc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1.
What is the InChIKey of N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is FRTVLDJEEPOXSD-NVJOKUIPSA-N. The full InChI is InChI=1S/C24H21BrCl2N2O4/c1-15-3-5-16(6-4-15)13-33-24-19(25)9-17(10-22(24)31-2)12-28-29-23(30)14-32-21-8-7-18(26)11-20(21)27/h3-12H,13-14H2,1-2H3,(H,29,30)/b28-12-.
What are the key properties of N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide?
N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 552.25 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 126190473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).