2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide

C18H19BrN2O3 — CID 84601844

IUPAC2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N(C)Cc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)20-15-7-9-16(10-8-15)24-12-18(23)21(2)11-14-5-3-4-6-17(14)19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyNYBXOFZCZRGWLJ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.44
Rot. Bonds6

About 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide

2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide (PubChem CID 84601844) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide
PubChem CID84601844
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)N(C)Cc2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)20-15-7-9-16(10-8-15)24-12-18(23)21(2)11-14-5-3-4-6-17(14)19/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyNYBXOFZCZRGWLJ-UHFFFAOYSA-N
XLogP3.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]carbamate
CID 86932307
1-[(2-bromophenyl)methyl]-3-(4-ethoxyphenyl)-1-methylthiourea
CID 8680260
(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide
CID 38044413
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55861535
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] benzoate
CID 55319343
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052
2-(4-acetamidophenoxy)-N-benzyl-N-tert-butylacetamide
CID 7640062
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide (CID 84601844) is 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide is CC(=O)Nc1ccc(OCC(=O)N(C)Cc2ccccc2Br)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide?
The InChIKey is NYBXOFZCZRGWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-13(22)20-15-7-9-16(10-8-15)24-12-18(23)21(2)11-14-5-3-4-6-17(14)19/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide?
2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide has a molecular weight of 391.27 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 84601844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).