N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C24H23BrN2O2 — CID 133145300

IUPACN-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1
InChIInChI=1S/C24H23BrN2O2/c1-17-8-10-21(18(2)12-17)14-24(28)27-26-15-20-9-11-23(22(25)13-20)29-16-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3,(H,27,28)/b26-15-
InChIKeyCBJAAFJFFXGBBD-YSMPRRRNSA-N
MW451.36 g/mol
LogP5.34
Rot. Bonds7

About N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133145300) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID133145300
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC NameN-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1
InChIInChI=1S/C24H23BrN2O2/c1-17-8-10-21(18(2)12-17)14-24(28)27-26-15-20-9-11-23(22(25)13-20)29-16-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3,(H,27,28)/b26-15-
InChIKeyCBJAAFJFFXGBBD-YSMPRRRNSA-N
XLogP5.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133145339
2-(2,4-dimethylphenyl)-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133144043
2-(2,4-dimethylphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 92657960
N-[(Z)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143842
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
2-(1,3-benzodioxol-5-yl)-N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 21379908
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126245549
N'-[[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3933609
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126378663
2-bromo-N-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3834787
2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133143940
N-[(E)-[4-[(4-cyanophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144044

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 133145300) is N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1.
What is the InChIKey of N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is CBJAAFJFFXGBBD-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-17-8-10-21(18(2)12-17)14-24(28)27-26-15-20-9-11-23(22(25)13-20)29-16-19-6-4-3-5-7-19/h3-13,15H,14,16H2,1-2H3,(H,27,28)/b26-15-.
What are the key properties of N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 451.36 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133145300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).