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

C17H15BrCl2N2O3 — CID 34597943

IUPAC2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C17H15BrCl2N2O3/c1-22(9-16(23)21-14-5-3-2-4-13(14)20)17(24)10-25-15-7-6-11(19)8-12(15)18/h2-8H,9-10H2,1H3,(H,21,23)
InChIKeyFIFNLBVHRIOYOL-UHFFFAOYSA-N
MW446.13 g/mol
LogP4.23
Rot. Bonds6

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

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 34597943) has the molecular formula C17H15BrCl2N2O3 and a molecular weight of 446.13 g/mol. Its IUPAC name is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
PubChem CID34597943
Molecular FormulaC17H15BrCl2N2O3
Molecular Weight446.13 g/mol
Exact Mass443.96
IUPAC Name2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C17H15BrCl2N2O3/c1-22(9-16(23)21-14-5-3-2-4-13(14)20)17(24)10-25-15-7-6-11(19)8-12(15)18/h2-8H,9-10H2,1H3,(H,21,23)
InChIKeyFIFNLBVHRIOYOL-UHFFFAOYSA-N
XLogP4.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472397
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]acetamide
CID 8501332
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide
CID 4822554
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
N-(2-chlorophenyl)-2-[methyl-[2-(4-nitro-2-phenylphenoxy)acetyl]amino]acetamide
CID 20994918
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 30167981
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide (CID 34597943) is 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is FIFNLBVHRIOYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N2O3/c1-22(9-16(23)21-14-5-3-2-4-13(14)20)17(24)10-25-15-7-6-11(19)8-12(15)18/h2-8H,9-10H2,1H3,(H,21,23).
What are the key properties of 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide?
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 446.13 g/mol, XLogP of 4.23, 6 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]-methylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 34597943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).