2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

C19H19BrCl2N2O3 — CID 24687293

IUPAC2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C19H19BrCl2N2O3/c1-2-24(11-18(25)23-10-13-3-5-14(21)6-4-13)19(26)12-27-17-8-7-15(22)9-16(17)20/h3-9H,2,10-12H2,1H3,(H,23,25)
InChIKeyYRJWJUZLNLOKOX-UHFFFAOYSA-N
MW474.18 g/mol
LogP4.30
Rot. Bonds8

About 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 24687293) has the molecular formula C19H19BrCl2N2O3 and a molecular weight of 474.18 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID24687293
Molecular FormulaC19H19BrCl2N2O3
Molecular Weight474.18 g/mol
Exact Mass472.00
IUPAC Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C19H19BrCl2N2O3/c1-2-24(11-18(25)23-10-13-3-5-14(21)6-4-13)19(26)12-27-17-8-7-15(22)9-16(17)20/h3-9H,2,10-12H2,1H3,(H,23,25)
InChIKeyYRJWJUZLNLOKOX-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (CID 24687293) is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is YRJWJUZLNLOKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrCl2N2O3/c1-2-24(11-18(25)23-10-13-3-5-14(21)6-4-13)19(26)12-27-17-8-7-15(22)9-16(17)20/h3-9H,2,10-12H2,1H3,(H,23,25).
What are the key properties of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 474.18 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 24687293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).