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

C18H20BrNO3 — CID 54784480

IUPACN-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccccc1C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C18H20BrNO3/c1-3-22-10-11-23-17-7-5-4-6-14(17)18(21)20-16-9-8-13(2)12-15(16)19/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyVVIDELRDPIQOHR-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.43
Rot. Bonds7

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

N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide (PubChem CID 54784480) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide
PubChem CID54784480
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccccc1C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C18H20BrNO3/c1-3-22-10-11-23-17-7-5-4-6-14(17)18(21)20-16-9-8-13(2)12-15(16)19/h4-9,12H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyVVIDELRDPIQOHR-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.43
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-phenoxyethoxy)benzamide
CID 54784469
2-(2-ethoxyethoxy)-N-(2-fluorophenyl)benzamide
CID 17122747
N-(2,4-dibromophenyl)-2-ethoxybenzamide
CID 3649234
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-pentoxybenzamide
CID 54784782
N-(4-amino-2-methoxyphenyl)-2-(2-ethoxyethoxy)benzamide
CID 54852699
N-[(2-bromophenyl)carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123016
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(2-ethoxyethoxy)benzohydrazide
CID 17122823
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
CID 53267898

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide (CID 54784480) is N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide is CCOCCOc1ccccc1C(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide?
The InChIKey is VVIDELRDPIQOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-22-10-11-23-17-7-5-4-6-14(17)18(21)20-16-9-8-13(2)12-15(16)19/h4-9,12H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide?
N-(2-bromo-4-methylphenyl)-2-(2-ethoxyethoxy)benzamide has a molecular weight of 378.27 g/mol, XLogP of 4.43, 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-ethoxyethoxy)benzamide is sourced from PubChem (CID 54784480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).