2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide

C18H20BrNO3 — CID 17096701

IUPAC2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(NC(=O)COc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H20BrNO3/c1-3-9-22-16-6-4-5-15(11-16)20-18(21)12-23-17-8-7-14(19)10-13(17)2/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,21)
InChIKeyAELQYRVKXNPGFD-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.56
Rot. Bonds7

About 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide

2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide (PubChem CID 17096701) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
PubChem CID17096701
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(NC(=O)COc2ccc(Br)cc2C)c1
InChIInChI=1S/C18H20BrNO3/c1-3-9-22-16-6-4-5-15(11-16)20-18(21)12-23-17-8-7-14(19)10-13(17)2/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,21)
InChIKeyAELQYRVKXNPGFD-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(2,4-dibromophenoxy)-N-[3-(2-ethoxyethoxy)phenyl]acetamide
CID 19628723
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095
2-(3-bromophenoxy)-N-(3,4-dipropoxyphenyl)acetamide
CID 4843107
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-(3-butoxyphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 17095038
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide (CID 17096701) is 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide is CCCOc1cccc(NC(=O)COc2ccc(Br)cc2C)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide?
The InChIKey is AELQYRVKXNPGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-9-22-16-6-4-5-15(11-16)20-18(21)12-23-17-8-7-14(19)10-13(17)2/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide?
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide has a molecular weight of 378.27 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide is sourced from PubChem (CID 17096701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).