N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide

C18H19BrN2O4 — CID 17357157

IUPACN-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19BrN2O4/c1-12(22)20-14-4-6-15(7-5-14)21-18(23)16-11-13(19)3-8-17(16)25-10-9-24-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRCJSXFGNFDEOON-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.68
Rot. Bonds7

About N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide

N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide (PubChem CID 17357157) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
PubChem CID17357157
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H19BrN2O4/c1-12(22)20-14-4-6-15(7-5-14)21-18(23)16-11-13(19)3-8-17(16)25-10-9-24-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRCJSXFGNFDEOON-UHFFFAOYSA-N
XLogP3.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-methoxyethoxy)-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17097726
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357251
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-2-(2-methoxyethoxy)-N-[(4-methylphenyl)carbamothioyl]benzamide
CID 17357499
5-bromo-N-[(4-hydroxyphenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357450
N-[4-[[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17357383

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide (CID 17357157) is N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide?
The InChIKey is RCJSXFGNFDEOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-12(22)20-14-4-6-15(7-5-14)21-18(23)16-11-13(19)3-8-17(16)25-10-9-24-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide?
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide has a molecular weight of 407.26 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17357157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).