N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide

C22H20BrNO3 — CID 54784469

IUPACN-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C22H20BrNO3/c1-16-11-12-20(19(23)15-16)24-22(25)18-9-5-6-10-21(18)27-14-13-26-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,24,25)
InChIKeyZDFDZZVOMPPLBS-UHFFFAOYSA-N
MW426.31 g/mol
LogP5.47
Rot. Bonds7

About N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide

N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide (PubChem CID 54784469) has the molecular formula C22H20BrNO3 and a molecular weight of 426.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide
PubChem CID54784469
Molecular FormulaC22H20BrNO3
Molecular Weight426.31 g/mol
Exact Mass425.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C22H20BrNO3/c1-16-11-12-20(19(23)15-16)24-22(25)18-9-5-6-10-21(18)27-14-13-26-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,24,25)
InChIKeyZDFDZZVOMPPLBS-UHFFFAOYSA-N
XLogP5.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.31
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide
CID 54784480
N-(5-fluoro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4856842
N-(5-chloro-2-methylphenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954394
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042
N-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)benzamide
CID 4954259
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-pentoxybenzamide
CID 54784782
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954338
N-[3-(2-methoxyethoxy)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 17169883
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide (CID 54784469) is N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide is Cc1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
The InChIKey is ZDFDZZVOMPPLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO3/c1-16-11-12-20(19(23)15-16)24-22(25)18-9-5-6-10-21(18)27-14-13-26-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,24,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide?
N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide has a molecular weight of 426.31 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 54784469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).