2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide

C16H14BrCl2NO2 — CID 17095318

IUPAC2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1c(Cl)cc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C16H14BrCl2NO2/c1-10(11-5-3-2-4-6-11)20-15(21)9-22-16-13(17)7-12(18)8-14(16)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyIPFCAKHIYGJVBU-UHFFFAOYSA-N
MW403.10 g/mol
LogP5.01
Rot. Bonds5

About 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide

2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide (PubChem CID 17095318) has the molecular formula C16H14BrCl2NO2 and a molecular weight of 403.10 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
PubChem CID17095318
Molecular FormulaC16H14BrCl2NO2
Molecular Weight403.10 g/mol
Exact Mass400.96
IUPAC Name2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COc1c(Cl)cc(Cl)cc1Br)c1ccccc1
InChIInChI=1S/C16H14BrCl2NO2/c1-10(11-5-3-2-4-6-11)20-15(21)9-22-16-13(17)7-12(18)8-14(16)19/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyIPFCAKHIYGJVBU-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.10
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 17096531
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856918
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
2-[2-bromo-6-chloro-4-[(Z)-2-cyano-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-enyl]phenoxy]acetic acid
CID 126247957
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
CID 17096542
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
CID 2792510

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide (CID 17095318) is 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide is CC(NC(=O)COc1c(Cl)cc(Cl)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide?
The InChIKey is IPFCAKHIYGJVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO2/c1-10(11-5-3-2-4-6-11)20-15(21)9-22-16-13(17)7-12(18)8-14(16)19/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide?
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide has a molecular weight of 403.10 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 17095318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).