N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C18H19BrN2O3 — CID 136727503

IUPACN-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCOc1cc(Br)c(O)c(/C=N\NC(=O)Cc2ccc(C)cc2C)c1
InChIInChI=1S/C18H19BrN2O3/c1-11-4-5-13(12(2)6-11)8-17(22)21-20-10-14-7-15(24-3)9-16(19)18(14)23/h4-7,9-10,23H,8H2,1-3H3,(H,21,22)/b20-10-
InChIKeyNEFQKIDZKFSFHS-JMIUGGIZSA-N
MW391.27 g/mol
LogP3.47
Rot. Bonds5

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

N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 136727503) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID136727503
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCOc1cc(Br)c(O)c(/C=N\NC(=O)Cc2ccc(C)cc2C)c1
InChIInChI=1S/C18H19BrN2O3/c1-11-4-5-13(12(2)6-11)8-17(22)21-20-10-14-7-15(24-3)9-16(19)18(14)23/h4-7,9-10,23H,8H2,1-3H3,(H,21,22)/b20-10-
InChIKeyNEFQKIDZKFSFHS-JMIUGGIZSA-N
XLogP3.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791
2-(2,5-dimethylphenyl)-N-[(E)-(2-hydroxy-5-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 137180756
2-(2,4-dimethylphenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92657855
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-ethoxyphenyl)acetamide
CID 137145842
2-(2,4-dimethylphenyl)-N-[(E)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 133143900
N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657822
N-[(E)-(5-chloro-2-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143947
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 136789403
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143803
N-[(Z)-(5-bromo-2-propan-2-yloxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657844
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 136749332
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944801

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 136727503) is N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is COc1cc(Br)c(O)c(/C=N\NC(=O)Cc2ccc(C)cc2C)c1.
What is the InChIKey of N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is NEFQKIDZKFSFHS-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11-4-5-13(12(2)6-11)8-17(22)21-20-10-14-7-15(24-3)9-16(19)18(14)23/h4-7,9-10,23H,8H2,1-3H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 136727503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).