N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide

C23H21BrN2O3 — CID 3797767

IUPACN-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)c1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21BrN2O3/c1-16-3-5-17(6-4-16)15-29-21-10-7-18(8-11-21)23(27)26-25-14-19-13-20(24)9-12-22(19)28-2/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyQOXSYSGTMYSBIJ-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.11
Rot. Bonds7

About N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide

N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide (PubChem CID 3797767) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
PubChem CID3797767
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
SMILESCOc1ccc(Br)cc1C=NNC(=O)c1ccc(OCc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21BrN2O3/c1-16-3-5-17(6-4-16)15-29-21-10-7-18(8-11-21)23(27)26-25-14-19-13-20(24)9-12-22(19)28-2/h3-14H,15H2,1-2H3,(H,26,27)
InChIKeyQOXSYSGTMYSBIJ-UHFFFAOYSA-N
XLogP5.11
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.11
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-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126328922
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 136766907
[4-bromo-2-[(Z)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6270059
[4-bromo-2-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 3742851
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
CID 6150699
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 3127374
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
CID 6888328
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
N-[(E)-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126331818
N-[(E)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246366

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide (CID 3797767) is N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide is COc1ccc(Br)cc1C=NNC(=O)c1ccc(OCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is QOXSYSGTMYSBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-16-3-5-17(6-4-16)15-29-21-10-7-18(8-11-21)23(27)26-25-14-19-13-20(24)9-12-22(19)28-2/h3-14H,15H2,1-2H3,(H,26,27).
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide?
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 453.34 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 3797767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).