2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

C16H15BrClNO3 — CID 1287772

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H15BrClNO3/c1-21-13-5-2-11(3-6-13)9-19-16(20)10-22-15-7-4-12(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyIRTKHHFMFJAHMN-UHFFFAOYSA-N
MW384.66 g/mol
LogP3.81
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 1287772) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID1287772
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C16H15BrClNO3/c1-21-13-5-2-11(3-6-13)9-19-16(20)10-22-15-7-4-12(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyIRTKHHFMFJAHMN-UHFFFAOYSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27893473
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-(4-bromo-2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767851
2-(2-bromo-4-formylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 41051814
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 28958551
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide (CID 1287772) is 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is IRTKHHFMFJAHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c1-21-13-5-2-11(3-6-13)9-19-16(20)10-22-15-7-4-12(17)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 384.66 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1287772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).