2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

C18H18BrCl2NO3 — CID 54856918

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C18H18BrCl2NO3/c1-11(17(24)12-6-4-3-5-7-12)22(2)16(23)10-25-18-14(19)8-13(20)9-15(18)21/h3-9,11,17,24H,10H2,1-2H3
InChIKeyLOKIYLNWDGFVOH-UHFFFAOYSA-N
MW447.16 g/mol
LogP4.72
Rot. Bonds6

About 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide (PubChem CID 54856918) has the molecular formula C18H18BrCl2NO3 and a molecular weight of 447.16 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
PubChem CID54856918
Molecular FormulaC18H18BrCl2NO3
Molecular Weight447.16 g/mol
Exact Mass444.98
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SMILESCC(C(O)c1ccccc1)N(C)C(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C18H18BrCl2NO3/c1-11(17(24)12-6-4-3-5-7-12)22(2)16(23)10-25-18-14(19)8-13(20)9-15(18)21/h3-9,11,17,24H,10H2,1-2H3
InChIKeyLOKIYLNWDGFVOH-UHFFFAOYSA-N
XLogP4.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.16
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856930
2-(4-bromo-2,6-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856630
2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856949
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 17095318
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
N-benzyl-N-[2-[benzyl-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]ethyl]-2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096627
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 17096531
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856919
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 54856792
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide (CID 54856918) is 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide is CC(C(O)c1ccccc1)N(C)C(=O)COc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The InChIKey is LOKIYLNWDGFVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrCl2NO3/c1-11(17(24)12-6-4-3-5-7-12)22(2)16(23)10-25-18-14(19)8-13(20)9-15(18)21/h3-9,11,17,24H,10H2,1-2H3.
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide has a molecular weight of 447.16 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 54856918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).