N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C26H26BrClN2O3 — CID 133143716

IUPACN-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H26BrClN2O3/c1-4-32-24-13-20(12-23(27)26(24)33-16-19-6-9-22(28)10-7-19)15-29-30-25(31)14-21-8-5-17(2)11-18(21)3/h5-13,15H,4,14,16H2,1-3H3,(H,30,31)/b29-15-
InChIKeyFSQMSOBFFHOXNF-FDVSRXAVSA-N
MW529.86 g/mol
LogP6.39
Rot. Bonds9

About N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133143716) has the molecular formula C26H26BrClN2O3 and a molecular weight of 529.86 g/mol. Its IUPAC name is N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID133143716
Molecular FormulaC26H26BrClN2O3
Molecular Weight529.86 g/mol
Exact Mass528.08
IUPAC NameN-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C26H26BrClN2O3/c1-4-32-24-13-20(12-23(27)26(24)33-16-19-6-9-22(28)10-7-19)15-29-30-25(31)14-21-8-5-17(2)11-18(21)3/h5-13,15H,4,14,16H2,1-3H3,(H,30,31)/b29-15-
InChIKeyFSQMSOBFFHOXNF-FDVSRXAVSA-N
XLogP6.39
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.86
LogP ≤ 56.39
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

N-[(Z)-[3-bromo-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944891
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061311
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 3466078
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126367833
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364041
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944614
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944656
[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 6872613
[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 1001790
N-[(Z)-[3-chloro-4-[(4-cyanophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657931
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-chlorophenyl)acetamide
CID 4548151
2-anilino-N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]acetamide
CID 126386466

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 133143716) is N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is FSQMSOBFFHOXNF-FDVSRXAVSA-N. The full InChI is InChI=1S/C26H26BrClN2O3/c1-4-32-24-13-20(12-23(27)26(24)33-16-19-6-9-22(28)10-7-19)15-29-30-25(31)14-21-8-5-17(2)11-18(21)3/h5-13,15H,4,14,16H2,1-3H3,(H,30,31)/b29-15-.
What are the key properties of N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 529.86 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133143716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).